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SUMMARY:Mesoporous silica SBA-15 activated by iron ions - influence of sil
ylation process on synthessis efficiency
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-967@indico.ifj.edu.pl
DESCRIPTION:Speakers: Jerzy Jelonkiewicz (Czestochowa University of Techno
logy\, Poland)\, Magdalena Laskowska (Czestochowa University of Technology
\, Poland)\, Lukasz Laskowski (Czestochowa University of Technology\, Pola
nd)\n\nThe paper considers mesoporous silica SBA-15 containing propyl-iron
phosphate groups. This compound has been studied to examine efficiency of
the synthesis route. Mössbauer spectroscopy has shown that iron has been
successfully connected to propyl-phosphate groups incorporated in the sil
ica matrix. Nevertheless Energy Disspersive X-Ray analysis (EDX) has indic
ated that amount of the iron ions is much lower\, than it has been assumed
. In-depth analysis of spectroscopic results pointed out\, that the reason
of this misalignment is a side reaction between phosphate units and hydro
xyl units in the silica structure\, occurring during hydrolysis process.
These side reactions can also be observed in Raman spectroscopy\, assisted
by simulations. Connections between phosphonic acid groups and hydroxyl g
roups on the silica surface can be identified in simulations and their pre
sence confirmed experimentally. Moreover\, hydroxyl group left by the phos
phor atom\, that is not bounded to the metal ion\, gives clear Raman peak
in the activated silica spectrum. The paper presents this analysis and pr
oves that it can be a powerful tool for the synthesis route efficiency exa
mination.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/967/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/967/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Novel fluorescent liquid crystal containing azo moiety- synthesis\
, mesogenic and spectroscopic studies
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-968@indico.ifj.edu.pl
DESCRIPTION:Speakers: Zbigniew Galewski (Faculty of Chemistry\, University
of Wroclaw\, Poland)\, Joanna Jaworska (Advanced Materials Engineering an
d Modelling Group\, Faculty of Chemistry\,Wroclaw University of Technology
\, Poland)\, Izabela Niezgoda (Faculty of Chemistry\, University of Wrocla
w\, Poland)\n\nLiquid crystals containing azo moiety are extensively studi
ed group of compounds. Main reason of this situation are their interesting
physicochemical as well as optical properties. An important role in the a
zobenzene derivatives studies plays the photosensitivity [1]\, through whi
ch the trans-cis-trans isomerization of -N=N- group is possible. Highly de
veloped optoelectronic industry is looking for these type of materials\, w
ith a number of specific properties for example luminescent. In order to a
chieve this property a special group must be implemented to the molecule s
tructure. For this purpose the most commonly used are f-electron elements
such as europium [2] or lanthanum [3\,4]. In recent years\, the heterocycl
ic components such as those based on oxidazole [5] or coupled ring systems
like perylenes are becoming increasingly popular [6].\nThe main aim of th
is research was the synthesis of the bifunctional fluorescent molecule wit
h azo and stilbene groups. Moreover\, the crucial spectroscopic and mesoge
nic properties were investigated. By the use of POM (polarized optical mic
roscopy)\, TOA (thermo-optical analysis) and DSC (differential scanning ca
lorimetry) the presence of the smectic A mesophase was confirmed. Also the
fluorescent properties were studied. \n\nReferences\n\n[1] A. Natansohn\,
P. Rochon\, Chem. Rev. 102\, 4139-4176 (2002). \n[2] K. Driesen\, K. Binn
emans\, Liq. Cryst. 31\, 4\, 601-605 (2004).\n[3] V.I. Dzhabarov\, A.A. K
nyazev\, M.V. Strelkov\, E.Y. Molostova\, V.A. Schustov\, W. Haase\, Y.G.
Galyametdinov\, Liq. Cryst. 37\, 3\, 285-291 (2010).\n[4] V. Y. Channabasa
veshwar\, R. Prabhu\, G. Shanker\, D.W. Bruce\, Liq. Cryst. 36\, 3\, 247-2
55 (2009). \n[5] J. Han\, F-L. Wang\, F-Y Zhang\, Li-R. Zhu\, Liq. Cryst.
37\, 12\, 1521-1527 (2010).\n[6] S. Keuker-Baumann\, H. Bock\, F.D. Sala \
, S.A. Benning\, T. Haßheider\, T. Frauenheim\, H.-S. Kitzerow\, Liq. Cry
st. 28\, 7\, 1105-1113 (2001).\n\nhttps://indico.ifj.edu.pl/event/70/contr
ibutions/968/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/968/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Molecular dynamics at nanometric length scales
DTSTART:20150709T070000Z
DTEND:20150709T074000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-956@indico.ifj.edu.pl
DESCRIPTION:Speakers: Friedrich Kremer (Institute of Experimental Physics
I\, University of Leipzig\, Germany)\n\nThe question on what length-scale
molecular and especially glassy dynamics of polymers takes place is of fun
damental importance and has multifold practical implications as well. Rece
nt results based on Broadband Dielectric Spectroscopy [1\,2] for nanometri
c thin (≥5 nm) layers of poly(styrene) [3]\, poly(methylmethacrylate) [4
\,5] and poly(cis-1\,4-isoprene) [6] will be presented\, delivering the co
ncurring result that deviations from glassy dynamics of the bulk never exc
eed margins of ±3 K independent of the layer thickness\, the molecular we
ight of the polymer under study and the underlying substrate. A further ex
citing perspective is the measurement of the dynamics of condensed isolate
d polymer chains [7]. The experiments lead to the conclusions that glassy
dynamics takes place on the length scale a few polymer segments (≤ ~ 0.5
nm) while the conformation of the chain as a whole is strongly modified d
ue to geometrical confinement. \n\nReferences\n\n1. F.Kremer\, A. Schoe
nhals (Eds.) Broadband Dielectric Spectroscopy\, Springer\, Berlin 2003
\n2. Kremer F.\, E. U. Mapesa\, M. Tress\, M. Reiche\,
“Molecular Dynamics of Polymers at Nanometric Length Scales: From Thin L
ayers to Isolated Coils” in:“Recent Advances in Broadband Dielectric S
pectroscopy”\, Y. P. Kalmykov (Eds.)\, NATO Science for Peace and Securi
ty Series B: Physics and Biophysics\, Chapter 12\, Springer (2012)\, DOI 1
0.1007/978-94-007-5012-8\, ISBN: 978-9-400-75011-1\n3. Tress\, M\, M. E
rber\, E.U. Mapesa\, H. Huth\, J. Müller\, A. Serghei\, C. Schick\, K.-J.
Eichhorn\, B. Voit and F. Kremer\, “Glassy Dynamics and Glass Transitio
n in Nanometric Thin Layers of Polystyrene“\, Macromolecules 43\, 9937-9
944 (2010) DOI: 10.1021/ma102031k\n4. Erber\, M.\, M. Tress\, E.U. Mape
sa\, A. Serghei\, K.-J. Eichhorn\, B. Voit and F. Kremer “Glassy dynamic
s and glass transition in thin polymer layers of PMMA deposited on differe
nt substrates“\, Macromolecules 43\, 7729 (2010)\, DOI: 10.1021/ma100912
r\n5. Mapesa\, E.U.\, M. Erber\, M. Tress\, K.-J. Eichhorn\, A. Serghei
\, B. Voit and F. Kremer “Glassy dynamics in nanometer thin layers of po
lystyrene“\, Europ. Phys. J. - Special Topics 189\, 173-180 (2010)\, DOI
: 10.1140/epjst/e2010-01320-2\n6. Mapesa\, E.U.\, M. Tress\, G. Schulz\
, H. Huth\, C. Schick\, M. Reiche\, F. Kremer “Segmental and chain dynam
ics in nanometric layers of poly (cis-1\,4-isoprene) as studied by Broadba
nd Dielectric Spectroscopy and temperature-modulated Calorimetry”\, Soft
Matter\, (2013) DOI: 10.1039/C3SM51311D \n7. Tress\, M.\, E.U. Mapesa\
, W. Kossack\, W.K. Kipnusu\, M. Reiche\, F. Kremer\, “Glassy Dynamics i
n Condensed Isolated Polymer Chains”\, Science\, (2013)\, MS no: RE12389
50/JEC/MAT SCI.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/956/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/956/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Molecular Flexibility and Aggregation Structure of Liquid Crystals
DTSTART:20150709T100000Z
DTEND:20150709T103000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-957@indico.ifj.edu.pl
DESCRIPTION:Speakers: Kazuya Saito (University of Tsukuba)\n\nOur previous
study based on structural thermodynamics [1-3] established that the confo
rmation of alkyl chains attached to the end(s) of the rigid core part of m
esogenic molecules is fully molten in any liquid crystalline (LC) mesophas
es. Besides\, recently revealed is that the nano-segregated structure is
a fundamental structure for layered (smectic) LCs formed by such molecules
[4\,5]. Based on these findings\, in this talk\, the interrelation will b
e discussed between aggregation structures in LCs and the molecular flexib
ility.\n\n[1] K. Horiuchi\, Y. Yamamura\, R. Pelka\, M. Sumita\, S. Yasuzu
ka\, M. Massalska-Arodz & K. Saito\, J. Phys. Chem. B\, 114\, 4870 (2010).
\n[2] Y. Yamamura\, T. Adachi\, T. Miyazawa\, K. Horiuchi\, M. Sumita\, M
. Massalska-Arodz\, S. Urban & K. Saito\, J. Phys. Chem. B\, 116\, 9255 (2
012). \n[3] T. Adachi\, H. Saitoh\, Y. Yamamura\, M. Hishida\, M. Ueda\, S
. Ito & K. Saito\, Bull. Chem. Soc. Jpn.\, 86\, 1022 (2013). \n[4] T. Miya
zawa\, Y. Yamamura\, M. Hishida\, S. Nagatomo\, M. Massalska-Arodz & K. Sa
ito\, J. Phys. Chem. B\, 117\, 8293 (2013). \n[5] K. Saito\, T. Miyazawa\,
A. Fujimura\, M. Hishida\, H. Saitoh\, M. Massalska-Arodz & Y. Yamamura\,
J. Chem. Phys.\, 139\, 114902 (2013).\n\nhttps://indico.ifj.edu.pl/event/
70/contributions/957/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/957/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Magnetocaloric effect in a matrix of high-spin clusters
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-958@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University)\, Mateusz Reczyński (Faculty of Chemistry\, Jagiellonian U
niversity)\, Beata Nowicka (Faculty of Chemistry\, Jagiellonian University
)\, Maria Bałanda (Institute of Nuclear Physics PAN\, Kraków)\, Magdalen
a Fitta (Institute of Nuclear Physics PAN\, Kraków)\, Robert Pełka (Inst
itute of Nuclear Physics PAN\, Kraków)\, Marcin Gajewski (Institute of Nu
clear Physics PAN\, Kraków)\n\nOne of the strategies to obtain new magnet
ic materials displaying substantial magnetocaloric effect is to tailor mol
ecular magnetic materials with high spin ground state. Following this cour
se of research a new family of coordination compounds based on Ni(II) and
W(V) ions with a general formula Ni[Ni(L)(solv)]8[W(CN)8]6\, where L=2\,2
’-bipyridine (1)\, 4\,4’-dimethyl-2\,2’-bipyridine (2)\, 5\,5’-dim
ethyl-2\,2’-bipyridine (3) or 4\,4’-ditertbutyl-2\,2’-bipyridine (4)
and solv = H2O or ethanol has been synthesized [1]. Detailed crystallogra
phic analysis indicated that the compounds appear in several isomeric form
s. The skeleton of the compounds comprises a central Ni(II) ion surrounded
by six octacynotungstate complexes forming an octahedron and each of thes
e complexes forms additional four bridges to the remaining Ni(II) ions pla
ced at the corners of a cube. The nickel ions on the surface of the cluste
r have three facial coordination sites which are not engaged in bridging.
Two of them are occupied by the bidentate bpy derivative and the remaining
one by the solvent molecule. Preliminary magnetic studies showed that the
exchange interaction mediated by the cyanide bridges is of ferromagnetic
character\, which implies that the ground state of the cluster has total s
pin S=12. In the poster we focus on compound (4) with the most spacially e
xtended ligand L. The isthermal magnetization was detected in the applied
fields ranging from 0 to 7 T for an array of temperatures below 20 K. The
analysis based on the Maxwell thermodynamic relation enabled to estimate t
he isothermal entropy change associated with switching on the external fie
ld. It turned out that at low temperature the compound exhibits the invers
e magnetocaloric effect\, i.e. cooling down on application of magnetic fie
ld in an adiabatic process. The reason for this may be twofold. On the one
hand\, a positive axial anisotropy\, which was corroborated in the compou
nd by theoretical calculations\, can lead to the downshift of the magnetoc
aloric signal at low temperatures. On the other hand\, the damping of the
χT signal at low temperatures points to the presence of a negative inter-
cluster coupling (probably of dipolar origin)\, which in turn can account
for the inverse magnetocaloric effect below the temperature where the long
-range antiferromagnetic order sets in [2].\n\nReferences\n[1] B. Nowicka\
, K. Stadnicka\, W. Nitek\, M. Rams\, B. Sieklucka\, Geometrical isomerism
in pentadecanuclear high-spin Ni9W6 clusters with symmetrical bidentate l
igand detected\, CrystEngComm 14 (2012) 6559.\n[2] P. J. von Ranke\, N. A.
de Oliveira\, B. P. Alho\, E. J. R. Plaza\, V. S. R. de Sousa\, L. Caron\
, M. S. Reis\, Understanding the inverse magnetocaloric effect in antiferr
o- and ferrimagnetic arrangements\, J. Phys.: Condens. Matter 21 (2009) 05
6004.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/958/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/958/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Multiscale behaviour of confined molecular liquids and polymers
DTSTART:20150709T093000Z
DTEND:20150709T100000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-959@indico.ifj.edu.pl
DESCRIPTION:Speakers: Wilfried Schranz (University of Vienna)\n\nPolyurea
elastomeres exhibit phase separated mesoscopic structures with hard nanod
omains embedded in a soft (compliant) matrix. This system shows (Fig.1) tw
o glass transitions at Tg1Tg1 is related to the freezing of molecules near
the pore walls. By functionalyzing the pore walls with silane the second
glass transition at Tg2 is completely suppressed. \nFollowing the approach
of Berthier\, et al. [4]\, we analyzed the temperature derivatives of the
dynamic elastic susceptibilities to obtain the size ξ(T) of dynamically
correlated regions in confined liquids and polymers. It is found\, that fo
r both systems ξ(T) increases when approaching Tg and finally diverges at
TVF\n\nhttps://indico.ifj.edu.pl/event/70/contributions/959/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/959/
END:VEVENT
BEGIN:VEVENT
SUMMARY:pH induced structural polymorphism in DNA-phospholipid-additive co
mplexes
DTSTART:20150710T081000Z
DTEND:20150710T084000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-960@indico.ifj.edu.pl
DESCRIPTION:Speakers: Pavol Balgavý (Faculty of Pharmacy\, Comenius Unive
rsity\, Bratislava\, Slovakia)\, Sergio S. Funari (Hasylab at DESY\, Hambu
rg\, Germany)\, Ferdinand Devínsky (Faculty of Pharmacy\, Comenius Univer
sity\, Bratislava\, Slovakia)\, Gilda Liskayová (Faculty of Pharmacy\, Co
menius University\, Bratislava\, Slovakia)\, Dominika Galliková (Faculty
of Pharmacy\, Comenius University\, Bratislava\, Slovakia)\, Alexander Bú
csi (Faculty of Pharmacy\, Comenius University\, Bratislava\, Slovakia)\,
Lukáš Hubčík (Faculty of Pharmacy\, Comenius University\, Bratislava\,
Slovakia)\, Daniela Uhríková (Faculty of Pharmacy\, Comenius University
\, Bratislava\, Slovakia)\n\nThe pH profile of pathological tissues\, such
as upon acquisition of inflammation\, infection\, and cancer\, is signifi
cantly different from that of the normal tissue. Also cellular components
such as the cytoplasm\, endosomes\, lysosomes\, endoplasmic reticulum\, et
c. are known to maintain their own characteristic pH values. For example\,
the pathway of the gene-vector complex is accompanied with the drop in pH
from physiological (pH 7.4) to the acidic in lysosome (pH 4.5). Hence\, p
H-responsive drug carriers are aimed at increasing the intracellular drug
bioavailability by rapidly releasing their payload in the endosomes after
cellular uptake\, and/or facilitating the drug transit to the cytoplasm. \
nDNA polyanion interacts with a dispersion of cationic liposomes forming c
olloidal particles with organized microstructure\, called lipoplexes. They
attract attention as delivery vectors for genetic material. Despite the f
act that cationic liposomes have been used for transfection\, and commerci
al lipid formulations are available\, their efficiency needs to be improve
d.\nWe will discuss structural polymorphism of two groups of lipoplexes pr
epared from neutral phospholipids with positive charges created by two gro
ups of pH responsive additives\, either by N-alkyl-N\,N-dimethylamine-N-ox
ides or fatty acids and divalent cations. The microstructure of formed com
plexes was examined using a small angle synchrotron X-ray diffraction (SAX
D). We identified a large variety in structures\, from one dimensional lam
ellar phase up to three dimensional cubic phases depending on the complexe
s composition\, pH and temperature. The binding capacity of complexes for
DNA differs in the range 30-95 % as we derived from spectrophotometry. In
the field of pharmacy\, non-lamellar phases such as hexagonal or bicontinu
ous cubic phases attract attention as promising group of carriers for a la
rge spectrum of drugs\, genetic material (DNA\, siRNA)\, small proteins or
peptides including. \n\nAcknowledgements: SAXS experiments were performed
at BL11-NCD beamline at Alba Synchrotron with the collaboration of Alba s
taff and supported by BioStruct-X/Calipso programme\; and at A2 beamline a
t Doris Synchrotron funded from the European Community's Seventh Framework
Programme (FP7/2007-2013)\; grants JINR project 04-4-1121-2015/2017 and V
EGA 1/1224/12 are gratefully acknowledged.\n\nhttps://indico.ifj.edu.pl/ev
ent/70/contributions/960/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/960/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Neutrons and Model Membranes: Moving Towards Complexity
DTSTART:20150710T084000Z
DTEND:20150710T091000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-961@indico.ifj.edu.pl
DESCRIPTION:Speakers: Giovanna Fragneto (Institut Laue-Langevin)\n\nCurren
t research in membrane protein biophysics highlights the emerging role of
lipids in shaping membrane protein function. Cells and organisms have deve
loped sophisticated mechanisms for controlling the lipid composition and m
any diseases are related to the failure of these mechanisms. One of the re
cent advances in the field is the discovery of the existence of coexisting
micro-domains within a single membrane\, important for regulating some si
gnaling pathways. Many important properties of these domains remain poorly
characterized.\n\nThe characterization and analysis of bio-interfaces rep
resent a challenge.\nPerforming measurements on these few nanometer thick\
, soft\, visco-elastic and dynamic systems is close to the limits of the a
vailable tools and methods.\n\nNeutron scattering techniques including sma
ll angle scattering\, diffraction\, reflectometry as well as inelastic met
hods are rapidly developing for these studies and are attracting an increa
sing number of biologists and biophysicists at large facilities.\n\nThe ta
lk will review some recent progress in the field and provide perspectives
for future developments. It aims at highlighting neutron reflectometry as
a versatile method to tackle questions dealing with the understanding and
function of biomembranes and their components. \nSince many biological pro
cesses occur at interfaces\, the possibility of using neutron reflection t
o study structural and kinetic aspects of model as well as real biological
systems is of considerable interest. The most effective use of neutron re
flection involves extensive deuterium substitution and this is becoming mo
re and more an available option in biological systems due to the creation
of protein deuteriation laboratories. \n\nThe study of asymmetric bilayers
and flip-flop phenomena [1]\, of the inclusion of raft forming molecules
[2] and the use of lipids from natural yeast extracts [3] will be highligh
ted.\n\n[1] Gerelli\, Y. et al. Langmuir 2013\, 29 (41) 12762-12769 & Gere
lli\, Y. et al. Langmuir\, 2012\, 28 (45)\, 15922–15928\n[2] Rondelli\,
V. et al. Biochimica et Biophysica Acta 2012\, 1818\, 2860–2867\n[3]
Gerelli Y. et al.\, Acta Crystallographica Section D (2014)\; 70(12):3167
& de Ghellinck\, A. et al. PLoS ONE 01/2014\; 9(4):e92999\n\nhttps://indi
co.ifj.edu.pl/event/70/contributions/961/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/961/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Molecular dynamics of partly fluorinated liquid crystal compounds
DTSTART:20150707T155000Z
DTEND:20150707T160500Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-962@indico.ifj.edu.pl
DESCRIPTION:Speakers: Dorota Węgłowska (Military University of Technolog
y\, Warszawa\, Poland)\, Ewa Juszyńska-Gałązka (Institute of Nuclear Ph
ysics PAN\, Kraków)\, Monika Marzec (Institute of Physics\, Jagiellonian
University\, Kraków)\, Wojciech Tomczyk (Institute of Physics\, Jagiellon
ian University\, Kraków)\n\nThe discovery of ferroelectric liquid crystal
s in 1974 by Meyer et al. [1] and later antiferroelectric by Chandani et a
l. [2] resulted in conducting many researches over these materials due to
their promising applications [3]. The aim of this work was to study the mo
lecular dynamics of two homologous thermotropic liquid crystal compounds\,
in short 6F4BBiOC8 [4] and 8F2BBiOC8. Both of the compounds studied exhib
it two liquid crystal phases: ferroelectric SmC* and antiferroelectric SmC
*A\, at heating and cooling as well. Based on the Density Functional Theor
y [5\,6]\, the optimized geometries of 6F4BBiOC8 and 8F2BBiOC8 molecules w
ere acquired\, which onward led to calculate the resultant dipole moment.
By means of the reversal current method [7] the spontaneous polarization f
or both compounds was measured and calculated to be 84 nC/cm2 and 97 nC/cm
2 for 6F4BBiOC8 and 8F2BBiOC8\, respectively. Using frequency domain diele
ctric spectroscopy [8] (1 Hz – 10 MHz) one relaxation process was regist
ered in the ferroelectric phase for both compounds. It was identified as c
ollective Goldstone mode. Similarly\, in the antiferroelectric phase for b
oth compounds one relaxation mode was detected and identified as collectiv
e non cancellation mode (NCM\, antiferroelectric Goldstone). Additionally\
, for 8F2BBiOC8 compound in the antiferroelectric phase\, the second relax
ation process was revealed. It was identified as a molecular S-process. Si
gnificant influence of ionic conductivity was observed in the electrooptic
and dielectric spectroscopy measurements.\n\nAcknowledgments:\nThe resear
ch was carried out with the equipment purchased thanks to the financial su
pport of the European Regional Development Fund in the framework of the Po
lish Innovation Economy Operational Program contract no. POIG.02.01.00-12-
023/08). The calculations were done at the ACK CYFRONET (AGH\, Kraków\, P
oland) using Materials Studio 5.5 within Accelrys polish national license.
\n\nReferences:\n[1] Meyer R. B.\, Liebert L.\, Strzelecki L.\, Keller P.\
, J. Phys. Lett. (Paris) 36\, p. 69 (1975).\n[2] Chandani A. D. L.\, Gór
ecka E.\, Ouchi Y.\, Takezoe H.\, Fukuda A.\, Jpn. J. Appl. Phys. 28\, p.
L1265 (1989).\n[3] Lagerwall S. T.\; "Ferroelectric and Antiferroelectric
Liquid Crystals"\; Wiley-VCH\; 1999.\n[4] Tomczyk W.\, Marzec M.\, Juszyń
ska-Gałązka E.\, Dąbrowski R.\, Ziobro D.\, Wróbel S.\, Massalska-Arod
ź M.\, Acta Phys. Pol. A 124\, p. 949 (2013).\n[5] Delley B. K.\, J. Chem
. Phys. 92\, p. 508 (1990). \n[6] Delley B. K.\, J. Chem. Phys. 113\, p. 7
756 (2000).\n[7] Ahuja K.\, Raina K. K.\, Jpn. J. Apl. Phys. 39\, p. 4076
(2000).\n[8] ”Relaxation Phenomena\, Liquid Crystals\, Magnetic Systems\
, Polymers\, High-Tc Superconductors\, Metallic Glasses”\, Eds. W. Haase
\, S. Wróbel\, Springer-Verlag\, Heidelberg 2003.\n\nhttps://indico.ifj.e
du.pl/event/70/contributions/962/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/962/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Spectroscopic studies of the phase transition from Mott insulating
phase to charge ordering phase in the charge-transfer salt &kappa\;-(ET)
4[FeIII(CN)6][N(C2H5)4]&bull\;2H2O
DTSTART:20150708T103000Z
DTEND:20150708T105000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-963@indico.ifj.edu.pl
DESCRIPTION:Speakers: Stéphane Golhen (Organométalliques: Matériaux et
Catalyse UMR 6226 CNRS-UR1 Institut des Sciences de Rennes\, Université d
e Rennes 1\, France)\, Lahcène Ouahab (Organométalliques: Matériaux et
Catalyse UMR 6226 CNRS-UR1 Institut des Sciences de Rennes\, Université d
e Rennes 1\, France)\, Weiwu Li (1. Physikalisches Institut\, Universität
Stuttgart\, Germany)\, David Neubauer (1. Physikalisches Institut\, Unive
rsität Stuttgart\, Germany)\, Martin Dressel (1. Physikalisches Institut\
, Universität Stuttgart\, Germany)\, Roman Świetlik (Institute of Molecu
lar Physics\, Polish Academy of Sciences\, Poznań\, Poland)\, Andrzej Ła
piński (Institute of Molecular Physics\, Polish Academy of Sciences\, Poz
nań\, Poland)\n\nOrganic molecular conductors formed by the bis(ethylened
ithio)tetrathiafulvalene (ET) and anions with permanent magnetic moments e
xhibit various electronic states and physical properties\, such as Mott in
sulator or charge ordering. Some time ago\, a new κ-ET salt with Fe(CN)63
- anions\, N(C)2H)5))4+cations\, and H2O molecules was synthesized [1]. Al
ong the c axis conducting layers of centrosymmetric ET2 dimers alternate w
ith insulating layers. Above T = 150 K\, the charge is distributed uniform
ly among ET molecules\; due to electronic correlations the holes are local
ized on ET2 dimers driving the compound to a Mott insulating state. Below
150 K\, a charge-ordered phase is observed where neutral (ET2)0 and ionize
d (ET2)2+ dimers are present [1\, 2].\n To gain more insight into the c
harge disproportionation in κ-(ET)4[FeIII(CN)6][N(C2H5)4]•2H2O salt\, w
e have performed comprehensive optical investigations of the infrared and
Raman active vibrational features around the phase transition. The polariz
ed reflectivity spectra versus temperature were recorded from 100 to 18 00
0 cm-1 for single crystals for the electrical field of the incident beam w
ithin ab plane. Moreover\, we have carried out the investigations in FIR u
sing gold overcoating technique for the mosaic. The complex optical conduc
tivity was obtained from the Kramers-Kronig analysis. The Raman spectra wi
thin the wavenumber range of 40-2000 cm-1 as a function of temperature in
the region of 10 - 280 K were measured on single crystals using two excita
tions λexc = 632.8 and 785 nm. To complete the discussion\, we add ab-ini
tio quantum-chemical calculations of the frequencies and intensities of th
e normal modes performed for the neutral (ET2)0 and ionized (ET2)1+\, (ET2
)2+ dimers.\n As a consequence of the charge ordering the vibrational s
pectra are strongly modified. From the analysis of our infrared and Raman
spectra we have obtained a wealth of information on the nature of the phas
e transition. Below the phase transition the vibrational band at 1347 cm-1
appears\, which is the result of coupling of the C=C mode of ET with the
charge-transfer transition within the (ET2)2+ dimer. The mode at approxima
tely 420 cm-1 (ν10 Ag) reveals very strong enhancement of the electron-ph
onon coupling due to charge order fluctuactions near the phase transition.
The presence of the broad feature at 200-700 cm-1 shows that the charge d
ensity strongly fluctuates in this system.\nReferences\n[1] A. Ota et al.
Chem. Mater. 19 (2007) 2455-2462.\n[2] A. Łapiński et al. J. Phys. Che
m. A 117 (2013) 5241-5250.\n\nAcknowledgments \nThis work was supported by
the NSC (DEC-2012/04/M/ST3/00774) and by the Deutscher Akademischer Austa
usch Dienste (DAAD)\n\nhttps://indico.ifj.edu.pl/event/70/contributions/96
3/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/963/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Polymorphism and dynamics of neohexanols studied by NMR spectrosco
py and relaxometry
DTSTART:20150709T084000Z
DTEND:20150709T090000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-964@indico.ifj.edu.pl
DESCRIPTION:Speakers: Marco Geppi (Dipartimento di Chimica e Chimica Indus
triale\, Università di Pisa)\, Maria Massalska-Arodz (Institute of Nuclea
r Physics PAN\, Kraków)\, Ewa Juszynska-Galazka (Institute of Nuclear Phy
sics PAN\, Kraków)\, Alessandro Mandoli (Dipartimento di Chimica e Chimic
a Industriale\, Università di Pisa)\, Lucia Calucci (ICCOM-CNR\, Pisa)\,
Elisa Carignani (Dipartimento di Chimica e Chimica Industriale\, Universit
à di Pisa)\, Claudia Forte (ICCOM-CNR\, Pisa)\n\nNeohexanol (2\,2-dimethy
l-1-butanol\, CH3CH2C(CH3)2CH2OH) and some of its isomers\, differing for
the positions of the OH and CH3 substituents\, constitute a very interesti
ng class of compounds showing a rich polymorphism with several solid-solid
phase transitions. Indeed\, due to their globular shape and to the possib
ility to associate through hydrogen bonds\, at low temperatures they give
rise to both plastic crystalline phases and glasses. In particular\, some
of these compounds show orientationally disordered crystals (ODIC) due to
the ease of rotational motions of the molecules in the solid state [1].\nF
ast field cycling (FFC) NMR relaxometry is a very important technique for
obtaining information on dynamic properties\, allowing internal\, overall
and collective molecular motions to be investigated by means of measuremen
t and analysis of 1H longitudinal relaxation times over a wide Larmor freq
uency range (10 kHz – 40 MHz). In particular\, 1H FFC NMR relaxometry ha
s been successfully applied in the study of motions related to the glass t
ransition process in viscous liquids and polymers [2]. On the other hand\,
solid-state NMR spectroscopy is a very powerful technique for the study o
f dynamics\, providing\, through a combination of different experiments an
d observable nuclei\, complementary information with respect to FFC NMR.\n
In this work 1H FFC NMR relaxometry and solid-state 1H and 13C NMR experim
ents have been applied to neohexanol and three of its isomers (3\,3-dimeth
yl-2-butanol\, 2\,3-dimethyl-2-butanol and 3\,3-dimethyl-1-butanol) in the
temperature range from -60 to 30 °C. In particular\, 1H spin lattice rel
axation times (T1) have been measured at Larmor frequencies from 10 kHz to
35 MHz with FFC techniques and at 400 MHz with Saturation-Recovery experi
ments. Moreover\, static 2H and 13C NMR spectra have been recorded under 1
H high-power decoupling. The spectroscopic and relaxation data acquired fo
r the different isomers have been compared and analyzed to obtain informat
ion on the dynamic processes occurring in the different solid phases as we
ll as to establish relationships between chemical structure and dynamic pr
operties. \n\n\nReferences \n[1] E. Juszyńska\, M. Massalska-Arodź\, I.
Natkaniec\, J. Krawczyk Physica B\, 403\, 109-114 (2008)\; E. Juszyńska-G
ałązka\, P.M. Zieliński\, M. Massalska-Arodź and J. Krawczyk Acta Phys
. Pol. A\, 124\, 917-925 (2013).\n[2] D. Kruk\, A. Herrmann\, E. A. Rössl
er Prog. Nucl. Mag. Res. Sp. 63\, 33-64 (2012).\n\nhttps://indico.ifj.edu
.pl/event/70/contributions/964/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/964/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Real-time Multiscale Dynamics in Condensed Matter Impacted by Lase
r Pulse
DTSTART:20150708T070000Z
DTEND:20150708T074000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-965@indico.ifj.edu.pl
DESCRIPTION:Speakers: Herve Cailleau (Institute of Physics\, University Re
nnes 1\, France)\n\nThere is a remarkable development in the field of ultr
a-fast time-resolved measurements in solids\, in which a pump laser pulse
is used to prepare the system into highly excited state\, while the real-t
ime induced electronic and/or structural dynamics is tracked with subseque
nt probe pulses. This adds a temporal dimension on top of energy and momen
tum. Nowadays\, laser sources are able to deliver ultra-short pulses\, typ
ically of few femtosecond duration\, thereby shorter than the time scale o
f atomic motions. They cover diverse spectral ranges\, from THz to hard X-
rays. Moreover\, these pulses can be very intense\, possessing a macroscop
ic number of photons and an extremely large instantaneous electric field.
We are able to act strongly and timely on the course of atomic processes i
n a material. The cooperative interaction in solid state may lead to posit
ive feedback\, underpinning non-linear responsiveness and threshold effect
. These photo-induced phenomena may trigger a spectacular transformation o
f the macroscopic state and functionality of a material (from insulating t
o metallic\, from non-magnetic to magnetic\, …). Several experiments hav
e provided new insights into the transformation of diverse materials\, fro
m the melting of charge or spin order in electron correlated system to coo
perative molecular switching in the solid state. Such processes are intrin
sically multiscale in time and space. The real-time experiments allow to d
isentangle in time the complex interplay between electronic and lattice de
grees of freedom (“dissecting” the Hamiltonian). The multistep nature
of the dynamical picture of photoinduced transformations in solids gives a
nice illustration of multiscale phenomena where the description on one sc
ale uses information from other scales. The possibility to highly select t
he involved collective atomic motions\, and so to trigger the dynamics coh
erently\, makes the transformation process particularly fast and efficient
(“selecting” inside the Hamiltonian). These different aspects will be
discussed\, as the recent opportunity to directly act by strong electric
field on the motion of electrons (“modifying” the Hamiltonian).\n\nhtt
ps://indico.ifj.edu.pl/event/70/contributions/965/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/965/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Liquid-crystalline polymorphism of fatty acids esters with 4-nitr
oazobenzene derivatives
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-966@indico.ifj.edu.pl
DESCRIPTION:Speakers: Zbigniew Galewski (Faculty of Chemistry\, University
of Wroclaw)\, Marta Podruczna (Faculty of Chemistry\, University of Wrocl
aw)\n\nContemporary LCD industry is still looking for new materials with v
ery specific physical properties. The azobenzene moiety is very comfortabl
e fragment in designing and synthesis of new structures\, giving stable me
sophase often with very interesting polymorphism. Additional useful proper
ty of azobenzenes for modern optics is their photosensitivity\, which allo
ws to design materials corresponding to light [1-3].\nThis communication w
ill present the synthesis and characterization of two liquid crystal homol
ogous series based on 4-nitroazobenzene. To obtain a homologous series of
compounds corresponding phenols were esterified with aliphatic carboxylic
acids with presence of dicyclohexylocarbodiimide.\nWe examined and present
ed 30 calamitic compounds\, 26 of them exhibit the presence of smectic A p
hase and/or nematic phase. Based on the polarization optical microscope ob
servations and differential scanning calorimetric measurements we will dis
cuss the impact of the length of acid moiety chain and number of aromatic
rings for their liquid-crystalline properties. We checked the effect of ir
radiation for the trans-cis conformation of azobenzene moiety in tested de
rivatives.\n\nReferences\n\n[1] T. Ikeda\, T. Sasaki\, K. Ichimura\, Natur
e 361\, 428 (2003).\n[2] J. Mysliwiec\, M. Czajkowski\, S. Bartkiewicz\, K
. Zygadlo\, Z. Galewski\, B. Sahraoui\, Appl. Phys. Lett. 98 (9)\, 081-105
(2011).\n[3] A. Sobolewska\, J. Zawada\, S. Bartkiewicz\, Z. Galewski\, J
. Phys. Chem. C 117 (2013)\, 10051−10058.\n\nhttps://indico.ifj.edu.pl/e
vent/70/contributions/966/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/966/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Slow magnetic relaxations and metamagnetic transition in quasi 1
D magnet [Co(NCS)2(4-(4-chlorobenzyl) pyridine)2]n
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-969@indico.ifj.edu.pl
DESCRIPTION:Speakers: Christian Näther (Institut of Inorganic Chemistry\,
University of Kiel\, Germany)\, Michał Rams (Institute of Physics\, Jagi
ellonian University\, Kraków)\, Zbigniew Tomkowicz (Institute of Physics\
, Jagiellonian University\, Kraków)\n\nIn the crystal structure of [Co(NC
S)2(4-(4-chlorobenzyl) pyridine)2]n (abbr. ClBP) the Co(II) cations are oc
tahedrally coordinated by two terminal ClBP ligands and four thiocyanato a
nions and are linked into ferromagnetic chains by pairs of µ-1\,3-bridgin
g thiocyanato anions. Due to small antiferromagnetic interchain interactio
ns the compound is antiferromagnet with the Néel temperature TN=3.8 K. Wi
th increasing magnetic field a metamagnetic transition is observed in fiel
d of 260 Oe. Magnetic relaxations in the ground state are well described b
y the generalized Debye model with one mean relaxation time which is therm
ally activated according to the Arrhenius equation with the energy barrier
ΔE/kB= 37.1 K. The ClBP compound may be classified as so called Single
Chain Magnet (SCM) which shows spin dynamics predicted by Glauber [1] for
Ising chain systems. An interesting feature is that SCM properties are obs
erved in the antiferromagnetic (ordered) state.\n\nReferences\n\n[1] R. J.
Glauber. Time-Dependent Statistics of the Ising Model. J. Math. Phys.\, 4
(2):294\, Feb. 1963.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/9
69/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/969/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Magnetocaloric effect of three cyanido-bridged coordination polyme
rs based on Mn(II) and Nb(IV)
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-970@indico.ifj.edu.pl
DESCRIPTION:Speakers: Tadeusz Wasiutyński (Institute of Nuclear Physics P
AN\, Kraków)\, Barbara Sieklucka (Faculty of Chemistry\, Jagiellonian Uni
versity\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagiellonian
University\, Kraków)\, Piotr Konieczny (Institute of Nuclear Physics PAN\
, Kraków)\, Marcin Gajewski (Institute of Nuclear Physics PAN\, Kraków)\
, Yasuhiro Nakazawa (Department of Chemistry\, Graduate School of Science\
, Osaka University)\, Yuji Miyazaki (Research Center for Structural Thermo
dynamics\, Graduate School of Science\, Osaka University)\, Robert PEŁKA
(Institute of Nuclear Physics PAN\, Kraków)\n\nMagnetocaloric effect for
{[Mn(II)(pyrazole)4]2[Nb(IV)(CN)8]∙4H2O}n1)\, {Mn(II)2(imH)2(H2O)4[Nb(IV
)(CN)8] ∙4H2O}n (2) and [Nb(IV){(μ-CN)4Mn(II)(H2O)2}2∙4H2O]n (3) is r
eported. The compounds belong to a class of 3D coordination polymers. They
exhibit a phase transition to a long range magnetically ordered state at
22.8 K (1)\, 24.1 K (2)\, and 47 K (3). Heat capacity measurements by rela
xation calorimetry in applied field of 0.1\, 0.2\, 0.5\, 1\, 2\, 3\, 4\, 5
\, 7\, and 9 T enabled to determine the magnetic entropy change ΔSM as we
ll as the adiabatic temperature change ΔTad. The maximum values of ΔSM
calculated for a field change of 5 T amount to 6.65 J kg-1 K-1 (1)\, 9.5 J
kg-1 K-1 (2)\, and 9.01 J kg-1 K-1 (3). The corresponding maximum values
of ΔTad are 1.4 K at 23.8 K (1)\, 2.02 K at 25.1 K (2)\, and 1.7 K at 49.
0 K (3). The temperature dependence of the exponent n characterizing field
dependence of ΔSM has been estimated. Exponent n attains the value of 0.
64 (1)\, 0.67 (2)\, and 0.69 (3) at the transition temperature\, which is
close to that expected for the three-dimensional Heisenberg universality c
lass. Universal scaling of the magnetic entropy change is discussed.\n\nht
tps://indico.ifj.edu.pl/event/70/contributions/970/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/970/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Photo-isomerization in a model of ruthenium nitrosyl compound: two
-step photon absorption process
DTSTART:20150708T084000Z
DTEND:20150708T090000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-971@indico.ifj.edu.pl
DESCRIPTION:Speakers: Isabelle Malfant (LCC\, Toulouse)\, Maciej Lorenc (C
NRS-University of Rennes 1)\, Wawrzyniec Kaszub (Institute of Physics of R
ennes\, University of Rennes 1)\, Marylise Buron-Le Cointe (Institute of P
hysics of Rennes\, University of Rennes 1)\, Liya Khadeeva (Institute of P
hysics of Rennes\, University of Rennes 1)\n\nBy means of visible absorpti
on spectroscopy and X-Ray diffraction the photo-switching between the grou
nd state nitrosyl (GS)\, isonitrosyl (SI) and side-on (SII) configurations
under continuous light irradiation is studied in the [Ru(py)4Cl(NO)](PF6)
2.1/2H2O system[1]. It is a remarkable model compound in the family of sys
tems containing [ML5NO] molecule\, where M=Fe\, Ru... and L=F\, Cl... and
usually only few percent of metastable populations[2]\, as its GS to SI tr
ansformation efficiency is close to 1[3]. This makes ruthenium nitrosyl sy
stem a perfect candidate for the photoisomerization studies. Moreover\, st
udy of this compound could also help in understanding another photo-chemic
al process\, such as NO release\, where SI and SII metastable states are s
uggested to be the intermediate steps before the formation of NO radical[2
]. \nA predominant two-step photon absorption process during GS to SI swit
ching under blue light is shown. During the depopulation of SI\, both two-
step and direct processes are evidenced under red light. With infra-red ex
citation\, SII is significantly populated before a thermal relaxation to G
S\, as shown by specific structural and optical signatures. In addition\,
different optical spectra associated with transient species (SII) during G
S to SI and reverse processes will be discussed in relation with SII prope
rties.\n\n\n[1] L. Khadeeva et al\, submitted\n[2] R.v. Eldik\, J.A. Olabe
\, NOx Related Chemistry\, Ac. Press\, Waltham\, 2015.\n[3] B. Cormary et
al\, Acta Cryst.\, 2009\, B65\, 612-623.\n\nhttps://indico.ifj.edu.pl/even
t/70/contributions/971/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/971/
END:VEVENT
BEGIN:VEVENT
SUMMARY:A magnetic study of an anisotropic CuII-[WV(
CN)8]3- molecular metamagnet family
DTSTART:20150708T110500Z
DTEND:20150708T112000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-972@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Wojciech Nitek (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Michał Rams (Institute of Physics\, Jagiello
nian University\, Kraków)\, Olaf Stefańczyk ((1) CNRS\, ICMCB (2) Univer
sity Bordeaux\, ICMCB (3) Faculty of Chemistry\, Jagiellonian University\,
Kraków)\, Anna Majcher (Institute of Physics\, Jagiellonian University\,
Kraków)\n\nA detailed magnetic study of a family of magnetic polymers [C
uII(55'-dmbpy)]2[WV(CN)8]X∙H2O (55'-dmbpy = 5\,5'-dimethyl-2\,2'-bipyrid
ine) with different anions X: Br- (1) \,Cl-(2)\, NO3-(3) is presented. \nT
he magnetic properties of all three analogues are similar\, showing antife
rromagnetic ordering below 4.7\, 3.9 and 2.8 K for 1\, 2 and 3\, respectiv
ely. They all exhibit a spin-flip transition at 3.0\, 2.1 and 0.5 kOe\, r
espectively (measured at T = 1.8 K). \nThe CuII-WV coupling through -CN- b
ridges was determined to be ferromagnetic. The metamagnetic character of t
he compound is caused by a weaker antiferromagnetic interaction mediated t
hrough &pi-&pi stacking between the ferromagnetically ordered chains\, whi
ch can be overcome by applying external magnetic field.\nThe system exhibi
ts strong axial anisotropy. For 1\, in which the effect is the most eviden
t\, it was studied in detail for ordered crystallites of the sample. A new
method for aligning small crystallites that show axial anisotropy shall b
e presented. The dependency of the magnetic moment of the compound on the
angle formed between the chains and the applied field was investigated\, a
nd the easy axis of magnetisation was determined to be the axis perpendicu
lar to the crystal\, which is also the axis perpendicular to the direction
along the chains. The direction along the chains was determined to be the
hard axis for magnetisation. Therefore\, it can be postulated that the sy
stem possesses an easy magnetisation plane perpendicular to a single hard
magnetisation axis.\nTechnical details of the measurements will be present
ed\, along with the emergence of peculiar double hystereses when the sampl
e is not immobilised\, which is another proof for the occurrence of strong
anisotropy within the discussed system.\n\nhttps://indico.ifj.edu.pl/even
t/70/contributions/972/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/972/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Dynamics and morphology of poly(2-vinylpyridine-co-styrene)/multiw
alled carbon nanotube composites
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-977@indico.ifj.edu.pl
DESCRIPTION:Speakers: Stefan Jurga (NanoBioMedical Center\, Adam Mickiewic
z University\, Poznań\, Poland)\, Krzysztof K. Koziol (Department of Mate
rials Science and Metallurgy\, University of Cambridge\, UK)\, Anna Barano
wska-Korczyc (NanoBioMedical Center\, Adam Mickiewicz University\, Poznań
\, Poland)\, Barbara M. Maciejewska (NanoBioMedical Center\, Adam Mickiewi
cz University\, Poznań\, Poland)\, Malgorzata Jasiurkowska-Delaporte (Nan
oBioMedical Center\, Adam Mickiewicz University\, Poznań\, Poland)\n\nDie
lectric properties and morphology of nanocomposites based on poly(2-vinylp
yridine-co-styrene) (P2V-S) as a matrix and multiwall carbon nanoubes (MWC
NTs) as nanofillers are investigated. Nanotube-polymer interactions are ev
aluated by Raman and Fourier Transform Infrared Spectroscopy (FTIR). The m
olecular dynamics is investigated in the wide frequency (10-2-10-6 Hz) and
temperature range by using of dielectric spectroscopy. The impact of the
size and the volume fraction of the carbon nanoadditive on molecular mobi
lity is observed. The dispersion and distribution of carbon nanostructures
in the polymer is studied by combination of Scanning Electron Microscopy
(SEM) and High Resolution Transmission Electron Microscopy (HRTEM).\n\nAck
nowledgements\nThe research was supported by National Science Centre (UMO-
2013/11/D/ST5\n/02900)\, Nation Centre for Research and Development (PBS1/
A9/13/2012) and the EuropeanSocial Fund (POKL.04.03.00-00-015/12)\n\nhttps
://indico.ifj.edu.pl/event/70/contributions/977/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/977/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The sound of chaos
DTSTART:20150710T103000Z
DTEND:20150710T105000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-973@indico.ifj.edu.pl
DESCRIPTION:Speakers: Piotr Pierański (Poznań University of Technology\,
Poland)\n\nAs a rule\, the scientific papers describing phenomena occurri
ng in the nonlinear systems are illustrated with lots of plots. If the sys
tem in question is oscillating\, the papers contain figures presenting the
shape of the oscillations indicating what happens to them\, when motion o
f the system evolves from the regular to the chaotic one. Sometimes the pa
pers present also Fourier spectra\, in which the period doubling bifurcati
ons are seen as the appearance of new\, subharmonic peaks [1]. \nIt is the
aim of the author to indicate that when the oscillations are located with
in an appropriate frequency range (or if one shifts them to such a range)
one is able to hear the transition from one to another mode of motion. For
instance\, the period doubling bifurcations are heard as clear\, audible
changes in the timbre of the sound. The period doubling bifurcations descr
ibed in [2] were discovered in such a manner.\nMany nonlinear system go th
rough a number of various transitions arriving at the end to the point abo
ve which the motion becomes chaotic. Which is the sound of it? The author
will answer the question.\n\nReferences\n[1] A. Libchaber\, C. Laroche et
S. Fauve\, Period doubling cascade in mercury\, a quantitative measurement
\, J. Physique Lett. 43\, 211 (1982). \n[2] 13. P. Pierański\, Jum
ping particle model. Period doubling cascade in an experimental system\,
J. Phys. (Paris)\, 44\, 573 (1983).\n\nhttps://indico.ifj.edu.pl/event/70/
contributions/973/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/973/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Positron annihilation in smectic E phase of 4-alkyl- 4– isothioc
yanatobiphenyls (nTCB)
DTSTART:20150709T105000Z
DTEND:20150709T111000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-974@indico.ifj.edu.pl
DESCRIPTION:Speakers: Ewa Juszyńska-Gałązka (Institute of Nuclear Physi
cs PAN\, Kraków)\, Ewa Dryzek (Institute of Nuclear Physics PAN\, Kraków
)\n\nProbing of intermolecular or intramolecular regions in molecular soli
ds by positron annihilation lifetime spectroscopy (PALS) is well establish
ed. In such substances\, the formation and decay of positronium (Ps) – t
he positron-electron bound state is expected to be influenced by the natur
e of intermolecular interactions and the internal structure. Structural ch
anges\, phase transformations and changes of local microscopic properties
are reflected in the measured PALS spectra what is particularly pronounced
in the case of liquid crystals. It can be demonstrated in the case of com
pounds from homologues series of nTCB. The results of PALS measurements fo
r 4TCB and 6TCB are presented. For 4TCB\, the measurements of positron lif
etime as a function of temperature were performed between 93 K and 293 K i
n order to study supercooled smectic E (SmE) phase [1]. \nThe obtained val
ue of the ortho-positronium (o-Ps) lifetime equal to 2.21 ns at room tempe
rature in the SmE phase of 4TCB can be explained by formation of Ps bubble
s. The bubbles are created due to a liquid-like state of the butyl chains
of 4TCB molecules in the SmE phase. However\, setting out the new models o
f SmE by Saito et al. [2] allowed us to better understand the Ps formation
in SmE phase. The new models of SmE lamellar structure with nano-segregat
ion of alkyl chains and other parts of molecules are examined in terms of
the local free volume in nTCB probed by Ps atom. The other question is the
thermal activation of sites where Ps bubbles are formed in supercooled Sm
E phase of 4TBC. The issue is approached basing on the bond lattice model
of glass transition [3]. This approach is also applied to the results of t
he PALS measurement for 6TCB performed as a function of external pressure.
\nThe PALS spectra were also measured during isothermal crystallization of
the 4TCB SmE phase. The analysis of the obtained results using the Avrami
equation indicates the low dimensional crystal growth. The o-Ps lifetime
in ordered molecular crystal was interpreted as originating from the annih
ilation of o-Ps confined in molecular vacancy-type of imperfections in the
crystal lattice. The phase transition between ordered crystal and SmE pha
se is reflected in the abrupt increase of the o-Ps lifetime and intensity.
\n\nReferences\n\n[1] E. Dryzek\, E. Juszyńska\, R. Zaleski\, B. Jasińsk
a\, M. Gorgol\, M. Massalska-Arodź\, Phys. Rev. E 88\, 022504 (2013).\n[2
] K. Saito\, T. Miyazawa\, A. Fujiwara\, M. Hishida\, H. Saitoh\, M. Massa
lska-Arodź\, Y. Yamamura\, J. Chem. Phys. 139\, 114902 (2013).\n[3] C. A.
Angell\, K. J. Rao\, J. Chem. Phys. 57\, 470 (1972).\n\nhttps://indico.if
j.edu.pl/event/70/contributions/974/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/974/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Co12Fe7 magnetic molecular cluster - on the
way to control multifunctional discrete molecular materials architecture
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-975@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagiell
onian University\, Kraków)\, Mirosław Arczyński (Faculty of Chemistry\,
Jagiellonian University\, Kraków)\n\nSince their discovery Prussian Blue
Analogs (PBAs) have become a driving force for many fruitful discoveries
on the route to control the quantum nanoworld [1]. For example study of Co
II-FeIII(CN)6 PBAs resulted in the burst of interest because of its nonmag
netic to magnetic photo-induced transition. Along with the miniaturization
tendencies and in connection with Single-Molecule Magnets (SMMs) developm
ent\, many fascinating discrete molecular materials were discovered i.e. F
e4Co2 light induced single molecule magnet [2] or Fe4Co4 [3a]\, Fe2Co2 [3b
]\, and FeCo [3c] complexes possessing the metallic core geometry that can
be considered as ‘slices’ of PBAs.\nWe contribute to this unique grou
p of molecules with an unprecedented\n [Co(1\,10-tdapO2)2]6[Co(1\,10-tdapO
2)(MeCN)]6[Fe(CN)6]7](BF4)3∙xMeCN (Co12Fe7) cluster\, whose metallic cor
e resembles a part of a unit cell of CoII-FeIII(CN)6 PBA (Figure 1). This
compound contains recently reported redox active [1\,2\,5]thiadiazolo[3\,4
-f][1\,10]phenanthroline 1\,1-dioxide (1\,10-tdapO2) ligand\, which makes
it a perfect subject for studying the photo-induced energy transfer betwee
n metals and ligands within a discrete molecule. Synthesis\, structural an
alysis\, and magnetic properties\, concluded with foresights for the devel
opment of other congeners will be presented.\n\nReferences\n\n[1] H. Tokor
o and S. Ohkoshi\, Dalton Trans. 2011\, 40\, 6825–6833.\n[2] N. Hoshino\
, F. Iijima\, G. N. Newton\, N. Yoshida\, T. Shiga\, H. Nojiri\, A. Nakao\
, R. Kumai\, Y. Murakami and H. Oshio\, Nat. Chem. 2012\, 4\, 921–926.\n
[3] a) Li\, D.\; Clérac\, R.\; Roubeau\, O.\; Harté\, E.\; Mathonière\,
C.\; Le Bris\, R.\; Holmes\, S. M.\; J. Am. Chem. Soc. 2008\, 130\, 252-2
58. b) A. Mondal\, Y. Li\, M. Seuleiman\, M. Julve\, L. Toupet\, M. Buron-
Le Cointe and R. Lescouëzec\, J. Am. Chem. Soc. 2013\, 135\, 1653–1656.
c) E. S. Koumousi\, I. Jeon\, Q. Gao\, P. Dechambenoit\, D. N. Woodru\, P
. Merzeau\, L. Buisson\, X. Jia\, D. Li\, F. Volatron and C. Mathonie\, J.
Am. Chem. Soc. 2014\, 136\, 15461–15464.\n\nhttps://indico.ifj.edu.pl/e
vent/70/contributions/975/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/975/
END:VEVENT
BEGIN:VEVENT
SUMMARY:In situ investigation of the mechanical properties of silk and opt
ically switchable silk with neutron and X-ray scattering
DTSTART:20150708T081000Z
DTEND:20150708T084000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-976@indico.ifj.edu.pl
DESCRIPTION:Speakers: Imke Greving (Helmholtz-Zentrum Geesthacht)\, Malte
Blankenburg (Helmholtz-Zentrum Geesthacht)\, Christina Krywka (Helmholtz-Z
entrum Geesthacht)\, Tilo Seydel (Institut Laue-Langevin Grenoble)\, Igor
Krasnov (Helmholtz-Zentrum Geesthacht)\, Martin Müller (Helmholtz-Zentrum
Geesthacht)\n\nThe biological structural material silkworm silk combines
high extensibility with high mechanical strength. The key to silk's unique
mechanical properties lies in the microstructure of this protein fibre wi
th nanocrystals embedded in a softer\, disordered matrix. On the basis of
results of novel in situ experiments using the techniques of mechanical re
laxation [1]\, neutron spectroscopy [1]\, small-angle neutron scattering [
2] and X-ray microdiffraction [3] we were able to develop new models expla
ining the contributions of both the amorphous matrix and the nanocrystals
to the mechanical properties of silk. In particular\, the models hold acro
ss many orders of magnitude on time and length scales [1]. \nBased on this
deeper understanding of the composite material\, native silk fibres were
functionalised with chromophores so that their mechanical properties can b
e reversibly switched with UV and visible light\, respectively [4]. The fi
bre geometry ensures that unpolarised light is converted into directed mec
hanical stress. The effect may in the future be used for the development o
f optically driven micro actuators or the conversion of light into mechani
cal energy.\n\nReferences\n\n[1] I. Krasnov\,T. Seydel\, M. Müller\, Phys
. Rev. E 91\, 042716 (2015).\n[2] M. Müller\, I. Krasnov\, M. Ogurreck\,
M. Blankenburg\, T. Pazera\, T. Seydel\, Adv. Eng. Mat. 9\, 767-772 (2011)
.\n[3] C. Krywka\, I. Krasnov\, R. Figuli\, M. Burghammer\, M. Mü̈ller\,
Macromolecules 47\, 7187−7193 (2014).\n[4] I. Krasnov\, N. R. Krekiehn\
, C. Krywka\, U. Jung\, A. U. Zillohu\, T. Strunskus\, M. Elbahri\, O. M.
Magnussen\, M. Müller\, Appl. Phys. Lett. 106\, 093702 (2015).\n\nhttps:/
/indico.ifj.edu.pl/event/70/contributions/976/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/976/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Diffusive properties and intermolecular interactions of water mole
cules in neighborhood of polymer chain as seen by various simulations tech
niques.
DTSTART:20150707T160500Z
DTEND:20150707T162000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-980@indico.ifj.edu.pl
DESCRIPTION:Speakers: Piotr Polanowski (Department of Molecular Physics\,
Faculty of Chemistry\, Lodz University of Technology\, Poland)\, Marcin Ko
zanecki (Department of Molecular Physics\, Faculty of Chemistry\, Lodz Uni
versity of Technology\, Poland)\, Krzysztof Halagan (Department of Molecul
ar Physics\, Faculty of Chemistry\, Lodz University of Technology\, Poland
)\, Jakub Saramak (Department of Molecular Physics\, Faculty of Chemistry\
, Lodz University of Technology\, Poland)\n\nPolymers\, which exhibit lowe
r critical solution temperature (LCST) are a good substrates to design sti
muli-responsive materials with many applications such as micro-valves\, ch
emical indicators\, drug delivery systems\, lenses and many others [1\,2].
In such systems three fundamental types of water may be distinguished:
“bulk”\, primary and secondary bounded water [3]. Knowledge about diff
usion of various types of water is crucial because it determines rapidness
of volume phase transition (VPT) resulted from distortion of metastable e
quilibrium in intermolecular interactions being of answer on external stim
uli. Currently\, experimental techniques allow only to determine averaged
diffusive properties of water in complex systems. In this work two simulat
ion techniques were applied: Quantum Mechanic (QM) and Monte Carlo (MC). Q
M method was used to optimize polymer-water systems and to study electrost
atic interactions between molecules. Poly(vinylmethylether) (PVME) was cho
sen as a model thermo-responsive polymer because of its simple chemical st
ructure. The MC method - DLL model [4] was used to examine diffusion of va
rious types of water molecules. Influence of polymer chain lengths\, and
concentration on water diffusivity is discussed for athermal case\, where
only excluded volume interactions are taken into account. The water mobili
ty in various distances from polymer chain is also shown.\n\nhttps://indic
o.ifj.edu.pl/event/70/contributions/980/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/980/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Phonons in nanostructures studied by nuclear inelastic scattering
and ab initio methods
DTSTART:20150709T143000Z
DTEND:20150709T150000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-981@indico.ifj.edu.pl
DESCRIPTION:Speakers: Przemysław Piekarz (Institute of Nuclear Physics PA
N\, Kraków)\n\nRecent developments in synchrotron radiation techniques en
able to study dynamical properties of nanoscale systems such as thin films
\, nanoclusters\, and nanowires. \nDue to lower symmetry and dimensionalit
y\, the vibrational spectra of nano-systems may substantially differ from
bulk crystals and strongly influence their thermo-elastic properties. Disc
overed 20 years ago\, the nuclear inelastic scattering (NIS) provides comp
lementary and sometimes superior information about lattice dynamics compar
ing to other well established techniques. The main advantages are: high se
lectivity\, small sample volume\, ultra-high vacuum conditions\, variable
energy resolution. Usually to obtain full information about lattice dynami
cs and properly interpret experimental results a reliable input from theor
y is required. A few examples of recent studies will be presented. They in
clude the measurements and ab initio calculations of phonon spectra in ver
y thin iron-oxide films and rare-earth nanostructures.\n\nhttps://indico.i
fj.edu.pl/event/70/contributions/981/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/981/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Azine and polyazine N-oxide ligands for novel magnetic molecular m
aterials
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-982@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Maciej Kubicki (Faculty of Chemistry\, Adam Mic
kiewicz University\, Poznań\, Poland)\, Robert Podgajny (Faculty of Chemi
stry\, Jagiellonian University\, Kraków)\, Szymon Chorąży (Faculty of C
hemistry\, Jagiellonian University\, Kraków)\, Anna Hoczek (Faculty of Ch
emistry\, Jagiellonian University\, Kraków)\n\nLigands decide about cryst
al structure of the coordination materials and in many cases could be a ke
y factor in achieving\, tuning and controlling the target properties. Seve
ral important features of their molecular structure and electronic structu
re can be preprogrammed at the very first stage of synthetic procedure. Th
is can be done by the selection of (i) type\, number\, and spatial distrib
ution of coordinated atoms\, (ii) distribution of charge density (iii) and
overall flexibility (or rigidity). Further\, the number of properties cou
ld be introduced or supported in the final products\, such as chirality\,
magnetic interactions\, photomagnetism\, luminescence\, porosity\, conduct
ivity\, catalysis and others [1-5]. \nDuring the last decade an old group
of azine and polyazine N-oxides emerged in the field of coordination chemi
stry for novel functional materials\, particularly in CN-\, SCN- or N3- br
idged systems with long range magnetic ordering or very recently in hybrid
complex salts [6\,7]. They offer a good alternative for selective and dir
ectional binding and connecting of d and f metal ions\, compared to former
ly exploited purely N-donor amines\, imines\, Schiff bases and others. Alo
ng this line we present novel CoII-L-[WV(CN)8]3- (L = selected-N-oxides) s
upramolecular porous networks composed of low dimensional CoII-CN-WV linea
r or zig-zag skeletons and mononuclear CoII complexes\, contributing to th
e overall magnetic properties with local magnetic exchange coupling and sl
ow magnetic relaxation processes. The channel systems hosting hydrogen bon
ded coordination and/or crystallization H2O is discussed in terms of poten
tial molecular exchange/sorption properties and their impact on magnetic p
roperties and conductivity. \n\nReferences \n\n[1] S. Batten\, Coordinati
on Polymers\, RSC Publishing (2009). \n[2] B. Nowicka et al.\, Coord. Chem
. Rev. 256 (2012) 1946. \n[3] H. Tokoro and S. Ohkoshi\, Dalton Trans. 40
(2011) 6825.\n[4] S. Chorąży\, K. Nakabayashi\, S. Ohkoshi\, B. Siekluck
a\, Chem. Mater. 26 (2014) 4072.\n[5] D. Pinkowicz\, Z. Li\, P. Pietrzyk\,
M. Rams\, Cryst Growth Des. 14 (2014) 4878.\n[6] Ma\, B.-Q.\; Sun\, H.-L.
\; Gao\, S.\; Su\, G.\; Chem. Mater. 13 (2001) 1946.\n[7] R. Podgajny et a
l.\, Cryst. Growth Des. 14 (2014) 4030.\n\nhttps://indico.ifj.edu.pl/event
/70/contributions/982/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/982/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Charge-transfer magnetic (H3O)[NiIII(cyclam)
][MII(CN)6]∙nH2O (M = Ru\, Os) chains b
ased on extraordinary redox couples
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-983@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Christian Näther (Institut für Anorganische C
hemie\, Universität Kiel)\, Michal Rams (Institute of Physics\, Jagiellon
ian University\, Kraków)\, Beata Nowicka (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Mateusz Reczyński (Faculty of Chemistry\, Ja
giellonian University\, Kraków)\n\nThe [NiII(cyclam)]2+ complex (cyclam =
1\,4\,8\,11-tetraazacyclotetradecane) has been widely employed as a build
ing block in the construction of bimetallic assemblies and afforded severa
l structurally dynamic guest-sensitive CN-bridged molecular magnets [1\,2]
. This complex can be easily oxidised to the relatively stable [NiIII(cycl
am)]3+ unit (s = ½) which we used to construct a new class of molecular m
agnets. The combination of [NiIII(cyclam)]3+ with diamagnetic [FeII(CN)6]
4- leads to the formation of the molecular (H3O)[NiIII(cyclam)][FeII(CN)6]
∙5H2O chain. The compound exhibits dehydration-induced reversible charge
-transfer in the NiIII-FeII couple\, which results in the formation NiII
(s = 1) and FeIII (s = ½). The process is reflected in the change of magn
etic properties - the increase of the magnetic susceptibility value and ap
pearance of ferromagnetic interactions at low temperatures. This observati
on prompted us to combine [Ni(cyclam)]3+ with the related hexacyanometalla
tes(II): [RuII(CN)6]4- and [OsII(CN)6]4-. In this way new 1D systems have
been obtained: (H3O)[NiIII(cyclam)][MII(CN)6]∙5H2O\, where MII = Ru (1)
or Os (2). 1 and 2 are isomorphic with the Fe-based analogue and show para
magnetic behaviour because of the separation of the paramagnetic NiIII cen
tres by diamagnetic low-spin RuII and OsII\, respectively. After dehydrati
on the increase of the χT value in the high-temperature limit indicates t
hat the charge-transfer process takes place with the formation of paramagn
etic RuIII or OsIII (s = ½) and NiII (s = 1). However\, in contrast to Ni
-Fe analogue\, at low temperature a significant decrease of χT is observe
d\, which suggests the presence of antiferromagnetic interactions through
the CN bridges. The use of the [NiIII(cyclam)]3+ building block allowed u
s to construct a new class of charge-transfer-active molecular magnets\, b
ased on unusual NiIII/II-RuII/III and NiIII/II-OsII/III redox couples.\n\n
[1] B. Nowicka\, M. Bałanda\, M. Reczyński\, A. M. Majcher\, M. Kozieł\
, W. Nitek\, W. Łasocha and B. Sieklucka\, Dalton Trans.\, 2013\, 42\, 26
16-2621.\n[2] B. Nowicka\, M. Reczyński\, M. Rams\, W. Nitek\, M. Kozieł
and B. Sieklucka\, CrystEngComm\, 2015\, 17\, 3526-3532.\n\nhttps://indic
o.ifj.edu.pl/event/70/contributions/983/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/983/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Closing
DTSTART:20150710T111000Z
DTEND:20150710T112000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-984@indico.ifj.edu.pl
DESCRIPTION:https://indico.ifj.edu.pl/event/70/contributions/984/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/984/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Peculiar thermodynamics in an orientational glass
DTSTART:20150707T152000Z
DTEND:20150707T153500Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1002@indico.ifj.edu.pl
DESCRIPTION:Speakers: Andrzej Jeżowski (Institute of Low Temperature and
Structure Research PAS)\, Daria Szewczyk (Institute of Low Temperature and
Structure Research PAS)\n\nThe measurements of heat capacity and thermal
conductivity of the glass-like monoclinic and the stable orthorhombic phas
es of 2-adamantanone (C10H14O) have been carried out in temperature range
2 K - 300 K. The results of heat capacity determination for the both inv
estigated phases are almost the same\, whereas for thermal conductivity me
asurements substantial differences have been found. The analysis of the th
ermal conductivity is performed in terms of several phonon scattering proc
esses contributing to the resistive relaxation. The glass-like monoclinic
phase displays the typical behavior of the ordered crystalline phases\, bu
t the fully ordered orthorhombic phase resembles a very defective crystal
with thermal conductivity one order of magnitude smaller than that for the
monoclinic phase. The discussion focuses on the influence of the statisti
cal intrinsic disorder concerning the site occupancy of an oxygen atom amo
ng three different sites within the monoclinic phase. The situation give r
ise to large-angle molecular jumps associated with time-average fluctuatio
ns of the molecular dipole on the thermal properties.\n\nhttps://indico.if
j.edu.pl/event/70/contributions/1002/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1002/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Magnetic properties of (Ph4P)2[Mn(acacen)M(C
N)6] single chain magnets for M=Fe\, Os\, and M=Co
DTSTART:20150707T102000Z
DTEND:20150707T104000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-985@indico.ifj.edu.pl
DESCRIPTION:Speakers: E. Peresypkina (Nikolaev Institute of Inorganic Chem
istry\, Novosibirsk\, Russia)\, K. Vostrikova (Nikolaev Institute of Inorg
anic Chemistry\, Novosibirsk\, Russia)\, A. Majcher (Institute of Physics\
, Jagiellonian University\, Kraków)\, M. Rams (Institute of Physics\, Jag
iellonian University\, Kraków)\n\nSingle chain magnet (SCM) behavior may
be observed in crystals in which the exchange interaction between spins cr
eates a quasi one dimensional system. Despite the lack of a long-range mag
netic order at a finite temperature\, SCMs may exhibit below a blocking te
mperature the remanent magnetization due to slow magnetic relaxation. The
relaxation time of ferromagnetically coupled chain of Ising spins follows
the Arrhenius law with an activation energy barrier. Few clear examples of
such behavior are known.\nWe will present magnetic properties of the fami
ly of compounds built of Mn(III) and Fe(III) (or Os(III)) ions linked into
chains by cyanide bridges -CN-. These compounds appear to be very good SC
Ms. The parameters related to the SCM behavior will be discussed basing on
the experimental data analysis. This includes:\n(1) the energy barrier of
relaxation processes and their mechanism\, \n(2) the easy axis magnetic a
nisotropy\,\n(3) exchange interaction within the chains\,\n(4) inter-chain
interaction\, \n(5) the influence of defects in the crystal structure.\n\
n[1] E.V. Peresypkina\, A.M. Majcher\, M. Rams\, K.E. Vostrikova\, A singl
e chain magnet involving hexacyanoosmate\, Chem. Commun. 50 (2014) 7150\n[
2] M. Rams\, E.V. Peresypkina\, V.S. Mironov\, W. Wernsdorfer\, K.E. Vostr
ikova\, Magnetic relaxation of 1D coordination polymers X2[Mn(acacen)Fe(CN
)6]\, X = Ph4P+\, Et4N+\, Inorg. Chem. 53 (2014) 10291\n\nhttps://indico.i
fj.edu.pl/event/70/contributions/985/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/985/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Nanostructure characterization by neutron scattering methods
DTSTART:20150707T111000Z
DTEND:20150707T114000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-987@indico.ifj.edu.pl
DESCRIPTION:Speakers: Alexander Belushkin (Frank Lab. Neutron Physics\, JI
NR)\n\nThe talk will give an overview of some recent results obtained in t
he field of nanostructure characterization using neutron scattering method
s. Brief descriptions of full reflectometry (specular\, off-specular and g
razing incidence small-angle neutron scattering) method are discussed. App
lications of these methods for solving different problems of molecular sys
tems on a surface will be presented. Among the examples is the behavior of
bicontinuous microemulsions near the hydrophilic surfaces\, mechanism of
the pregnancy tests operation and modeling of the full reflectivity signal
from different model systems using numerical methods. Accent is made on t
he illustration of the advantages of neutron methods in solving specific q
uestions and on the complementary use of neutron and synchrotron radiation
techniques.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/987/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/987/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Surface modification of multiwalled carbon nanotubes (MWCNTs) for
biological applications
DTSTART:20150709T160500Z
DTEND:20150709T162000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-988@indico.ifj.edu.pl
DESCRIPTION:Speakers: Stefan Jurga (NanoBioMedical Center\, Adam Mickiewic
z University\, Poznań\, Poland)\, Krzysztof K. Koziol (Department of Mate
rials Science and Metallurgy\, University of Cambridge\, UK)\, Andrij I. V
asylenko (NanoBioMedical Center\, Adam Mickiewicz University\, Poznań\, P
oland)\, L. Emerson Coy (NanoBioMedical Center\, Adam Mickiewicz Universit
y\, Poznań\, Poland)\, Barbara M. Maciejewska (NanoBioMedical Center\, Ad
am Mickiewicz University\, Poznań\, Poland)\, Alicja Warowicka (NanoBioMe
dical Center\, Adam Mickiewicz University\, Poznań\, Poland)\, Anna Baran
owska-Korczyc (NanoBioMedical Center\, Adam Mickiewicz University\, Pozna
ń\, Poland)\, Malgorzata Jasiurkowska-Delaporte (NanoBioMedical Center\,
Adam Mickiewicz University\, Poznań\, Poland)\n\nOwing to their outstandi
ng physical and chemical properties carbon nanotunes (CNTs) are a promisin
g material with potential applications in drug delivery systems\, electron
ics and aerospace. The major challenge of the practical use of CNTs in med
icine is enhancing of their ability to disperse in hydrophilic solvents.
Chemical treatment with acids damages the graphite-like structure of CNTs
and creates carboxyl groups on their surface. This facilitates further
covalent functionalization with various polymers. In this study\, detailed
picture of the impact of acid treatment on the multiwalled carbon nanotub
e (MWCNT) surface is obtained by combination of high-resolution transmissi
on electron microscopy (HR-TEM)\, Raman spectroscopy\, Fourier transform i
nfrared spectroscopy (FTIR) and ab initio calculations [1]. The correlatio
ns between the oxidation protocol\, CNT size\, degree of damage to the CNT
\, and types of functional groups will be discussed. The further functiona
lization of MWCNTs with polyethylene glycol (PEG) and their potential appl
ication in medicine will be also presented. \n\n[1] B. M. Maciejewska M
. Jasiurkowska-Delaporte\, A. I. Vasylenko\, K. K. Kozioł S. Jurga\,
RSC Adv.\, 2014\,4\, 28826-28831\nAcknowledgements\nThe research was supp
orted by National Science Centre (UMO-2013/11/D/ST5\n/02900)\, Nation Cent
re for Research and Development (PBS1/A9/13/2012) and the EuropeanSocial F
und (POKL.04.03.00-00-015/12)\n\nhttps://indico.ifj.edu.pl/event/70/contri
butions/988/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/988/
END:VEVENT
BEGIN:VEVENT
SUMMARY:New functionalities originating from phase transition phenomena in
cyano-bridged bimetal assemblies and metal oxides
DTSTART:20150706T141000Z
DTEND:20150706T145000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-989@indico.ifj.edu.pl
DESCRIPTION:Speakers: Shin-ichi Ohkoshi (Department of Chemistry\, School
of Science\, The University of Tokyo)\n\nDevelopment of functional materia
ls has been extensively studied in the field of solid-state chemistry. Up
to date\, we have developed various unique photomagnetic mateirals using c
yano-bridged bimetallic assemblies [1‒4]. Furthermore\, we have reported
a new crystal structure of titanium oxide\, lambda-titanium oxide (λ-Ti3
O5)\, which exhibits a photo-reversible metallic (Pauli paramagnetic) phas
e to semiconductor (non-magnetic) phase transition at room temperature [5]
. In addition to these photo-functional materials\, we have developed a pu
re phase of epsilon-iron oxide nanomaterials\, which exhibit a high freque
ncy millimeter wave absorption [6]. Here\, I introduce novel photomagnetic
functionalities on iron-octacyanoniobates\, light-induced spin-crossover
magnetic phenomenon in Fe2[Nb(CN)8](4-pyridinealdoxime)8∙2H2O [3]\, and
photoreversible light-induced spin-crossover phenomenon\, spin-crossover-i
nduced second harmonic generation (SHG)\, and photoswitching of magnetizat
ion-induced SHG (MSHG) in Fe2[Nb(CN)8](4-bromopyridine)8∙2H2O [1]. In ad
dition\, novel thermodynamic functionality of lambda-titanium oxide is int
roduced [7].\nLight-induced spin-crossover magnetic phenomenon: The long-r
ange magnetic ordering of the FeII(HS)(S= 2) site network in a metal–org
anic framework caused by a light-induced excited spin-state trapping (LIES
ST) effect. The iron-octacyanoniobate\, Fe2[Nb(CN)8](4-pyridinealdoxime)8
∙2H2O\, exhibits a spin-crossover magnetic properties\, in which a stron
g superexchange interaction between photo-produced FeII(HS) and neighbouri
ng NbIV(S= 1/2) atoms operates through CN bridges. The photomagnetic phase
showed magnetic transition at 20 K and a coercive magnetic field of 240 O
e.\n90-degree optical switching of output SH light in a chiral photomagnet
: A novel magnetooptical phenomenon\, 90-degree optical switching of outpu
t SH light is first observed in a chiral photomagnet. We developed a new c
hiral structured magnet\, where Fe ions and Nb ions are three dimensionall
y bridged by CN ligands. By alternatively irradiating with 473-nm blue lig
ht and 785-nm light\, the spontaneous magnetization of the material can be
reversibly switched. Using this chiral photomagnet\, we investigated SHG
nonlinear optical effects. As a result\, at a nonmagnetic state before lig
ht irradiation\, input light with a horizontal polarization plane was conv
erted to an output light with a vertical polarization plane. However\, whe
n the sample was transformed into a magnetic state (photomagnetic state I)
by irradiating with 473-nm light\, an output light with a horizontal pola
rization plane was observed. Furthermore\, when irradiated with 785-nm lig
ht to photogenerate a magnetic state with weak magnetization (photomagneti
c state II)\, the polarization plane of the output light was returned to v
ertical. In this way\, we succeeded in 90-degree switching of the polariza
tion plane of the output SH light by changing the state of the magnet with
473-nm and 785-nm lights. There have not been any other reports of chiral
photomagnets\, and this is the first successful example. With the develop
ment of such a novel material\, chirality and magnetic properties were cou
pled to exhibit 90-degree switching of the polarization plane of the outpu
t light. \n\n(1) S. Ohkoshi\, et al.\, Nature Photonics\, 8\, 65 (2014). (
2) S. Ohkoshi\, et al.\, Acc. Chem. Res.\, 45\, 1749 (2012). (3) S. Ohkosh
i\, et al.\, Nature Chemistry\, 3\, 564 (2011). (4) S. Ohkoshi\, Nature Ma
terials\, 3\, 857 (2004). (5) S. Ohkoshi\, et al.\, Nature Chemistry\, 2\,
539 (2010). (6) A. Namai\, S. Ohkoshi\, et al.\, Nature Communications\,
3\, 1035 (2012). (7) H. Tokoro\, S. Ohkoshi\, et al.\, Nature Communicatio
ns\, 3\, 1035 (2012).\n\nhttps://indico.ifj.edu.pl/event/70/contributions/
989/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/989/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Negative thermal expansion behavior in rubidium manganese hexacyan
oferrate
DTSTART:20150707T074000Z
DTEND:20150707T081000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-990@indico.ifj.edu.pl
DESCRIPTION:Speakers: Shin-ichi Ohkoshi (Department of Chemistry\, School
of Science\, The University of Tokyo)\, Hiroko Tokoro (Division of Materia
ls Science\, Faculty of Pure and Applied Sciences)\n\nIn recent years\, cy
ano-bridged metal assemblies have been aggressively studied to demonstrate
various magnetic functionalities.(1\,2) Among them\, rubidium manganese h
exacyanoferrate is an attractive material since it shows a various functio
nalities\, e.g.\, thermal-induced phase transition\, electronic-field indu
ced phase transition\, ferroelectric ferromagnetism\, second harmonic gene
ration\, photogmantic effect\, and so on.(3-6) In the present work\, we pr
epare plate-shaped microcrystals of rubidium manganese hexacyanoferrate\,
Rb0.97Mn[Fe(CN)6]0.99∙0.3H2O\, using a surfactant matrix (6). \nThe prep
ared microcrystals show a charge transfer induced phase transition between
the cubic Mn(II)−NC−Fe(III) and tetragonal Mn(III)−NC−Fe(II) phas
es. The Mn(III)−NC−Fe(II) phase exhibits a small negative thermal expa
nsion (NTE) along the a(LT) and c(LT) axes with a thermal expansion coeffi
cient of α(a(LT))= −1.40 ± 0.12 × 10−6 K−1 and α(c(LT))= −0.1
7 ± 0.13 × 10−6 K−1 over a wide temperature range of 15 K – 300 K.
Such small |α| materials are classified as ZTE materials. The far-infrar
ed spectra show that NTE originates from the transverse modes δ(Fe−C≡
N−Mn) of the transverse translational mode around 304 cm-1\, and transve
rse librational modes at 253 and 503 cm-1\, which are assigned according t
o first principle calculations. Molecular orbital calculations indicate th
at ZTE and the charge transfer phase transition both originate from the tr
ansverse mode. Additionally\, an oriented film on SiO2 glass is prepared u
sing a microcrystal dispersive methanol solution and a spin-coating techni
que. This is the first report of a ZTE film that maintains a constant film
thickness over a wide temperature range of 300 K.\n\n(1) S. Ohkoshi and H
. Tokoro\, Acc. Chem. Res. 45\, 1749 (2012).\n(2) H. Tokoro and S. Ohkoshi
\, Dalton Trans. 40\, 6825 (2011).\n(3) H. Tokoro and S. Ohkoshi\, Bull. C
hem. Soc. Jpn. 88\, 227 (2014).\n(4) H. Tokoro\, T. Matsuda\, T. Nuida\, Y
. Moritomo\, K. Ohoyama\, E.D.L. Dangui\, K. Boukheddaden\, S. Ohkoshi\, C
hem. Mater. 20\, 423 (2008). \n(5) S. Ohkoshi\, H. Tokoro\, T. Matsuda\, H
. Takahashi\, H. Irie\, K. Hashimoto\, Angew. Chem. Int. Ed. 46\, 3238 (20
07).\n(6) H. Tokoro\, K. Nakagawa\, K. Imoto\, F. Hakoe\, S. Ohkoshi\, Che
m. Mater. 24\, 1324 (2012).\n\nhttps://indico.ifj.edu.pl/event/70/contribu
tions/990/
LOCATION:Flora Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/990/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The European Spallation Source: A Tool for Studying Multiscale Sys
tems
DTSTART:20150710T070000Z
DTEND:20150710T074000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-991@indico.ifj.edu.pl
DESCRIPTION:Speakers: Ken Andersen (European Spallation Source AB)\n\nThe
European Spallation Source is currently under construction in Lund in the
South of Sweden. Once fully operational in the early 2020's\, ESS will be
the world's leading neutron source for condensed-matter studies. The facil
ity will be co-located with the MAX-IV high-brightness synchrotron and is
being designed and constructed in partnership with a network of labs and u
niversities distributed across Europe. \n\nThe novelty and strength of the
ESS neutron source lie in its unique brightness and long-pulse time struc
ture which together determine the performance and expected scientific impa
ct of its neutron scattering instrument suite. ESS instruments will not on
ly be able to measure more quickly and probe smaller sample volumes than i
s currently possible\, they will are also inherently better suited to the
study of hierarchical systems exhibiting structure or fluctuations over ma
ny orders of magnitude in length or time. \n\nA brief overview of the faci
lity is given and some examples are described of how ESS instruments will
address key science areas.\n\nhttps://indico.ifj.edu.pl/event/70/contribut
ions/991/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/991/
END:VEVENT
BEGIN:VEVENT
SUMMARY:X-ray studies of strain behaviour in magnetoelectric composites
DTSTART:20150708T093000Z
DTEND:20150708T100000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-992@indico.ifj.edu.pl
DESCRIPTION:Speakers: Bridget Murphy (Kiel University)\n\nMagnetoelectric
composite materials are promising candidates for highly sensitive magnetic
-field sensors. Exploiting a range of X-ray diffraction methods [1-3]\, we
have succeeded to directly determine magnetic and electric field induced
strain at the interface of these magnetoelectric composites. We show that
both geometry and sample growth play an important role in strain behaviour
.\nHigh resolution grazing incidence diffraction was used to determine mag
netic field induced strain at the Metglas/ZnO planar interface showing the
saturation strain along [1-10] of about 3×10-5 [1]. Additionally\, nanof
ocus X-ray diffraction enabled the local mapping of the magnetoelectric mi
crocomposite properties of ZnO microrods coated with amorphous Metglas. He
re\, in addition to the expected magnetic field induced strain\, we observ
e a strong enhancement resulting in strain up to 10-5 in the ZnO at the in
terface [3].\nIn a further X-ray diffraction study we have investigated th
e elastic coupling of electrically induced strain in similar epitaxial mul
tiferroic interfaces - PMN-PT substrate and a CoFe2O4 layer. Although the
coupling at epitaxial interfaces is expected to be 1\, we obtained a value
of ~86 %\, this surprising result can be explained by strain relaxati
on at grain boundaries. The non-perfect coupling in this epitaxial system
can be explained by grain boundary relaxation.\n\nWe thank the DFG for fun
ding via SFB 558 and PAK902.\n\nReferences\n\n1. M. Abes et al.\, App. Phy
s. Lett. 102\, 011601 (2013).\n2. M. Abes et al.\, J. App. Phys. 113\, 124
303 (2013).\n3. S. B. Hrkac et al.\, App. Phys. Lett. 103\, 123111 (2013).
\n\nhttps://indico.ifj.edu.pl/event/70/contributions/992/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/992/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Reflection\, refraction\, mode conversion and guided waves on surf
aces and interfaces of materials with all allowed Poisson ratios
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-993@indico.ifj.edu.pl
DESCRIPTION:Speakers: Piotr Zieliński (Institute of Nuclear Physics PAN\,
Kraków)\, Marcin Majka (Institute of Nuclear Physics PAN\, Kraków)\, Do
minika Kuźma (Institute of Nuclear Physics PAN\, Kraków)\, Paweł Sobies
zczyk (Institute of Nuclear Physics PAN\, Kraków)\n\nWhen encountering a
mismatch of characteristic impedance a bulk acoustic wave transforms into
up to three reflected and refracted waves of different polarizations. The
effect is known as mode conversion [1]. The lack of the specularly reflect
ed wave is called total mode conversion because then all the outgoing wave
s propagate at speeds different than that of the incident one. Conversely\
, if the only outgoing wave reflects in the specular way one speaks of no-
conversion. Discovery of materials with negative Poisson’s ratio [2] enl
arged the range of possible impedance mismatch and of the related phenomen
a. The conditions for the total mode conversion\, for no-conversion and fo
r evanescent partial waves will be presented for half-space elastic media
and for interfaces between two different elastic media also separated by a
thin membrane. Additionally\, the effects of total reflection and total t
ransmission will be discussed in the latter cases. Some frequencies corres
ponding to these phenomena turn out to coincide with apparently spurious r
oots of the secular determinant giving\, in principle\, the frequencies of
the surface or interface waves [3\,4]. These results will be compared wit
h the anomalies of local densities of states (LDOS) on the surfaces and in
terfaces. Of particular interest are maxima of and minima of LDOS correspo
nding to surface resonances and surface antiresonances respectively. Some
sharp surface resonances mark the total mode conversion of bulk waves and
broader resonances an analogous mode conversion of evanescent waves The ef
fects of curved surfaces will be also summarized [5].\n\n[1] J. Miklowitz\
, "The Theory of Elastic Waves and Waveguides"\, Elsevier North-Holland In
c.\, New York\, 1978\, Chapter 3.\n[2] R.S. Lakes\, Science 235\, 1038 (19
87)\n[3] R. E. Camley and F. Nizzoli\, J. Phys. C: Solid State Phys.\, 18\
, 4795 (1985)\n[4] R. Stoneley\, Proc. Royal Society of London. Series A\,
vol. 106\, no. 738\, pp. 416–428\, 1924. \n[5] P. Sobieszczyk\, M. Ga
łązka\, P. Zieliński\, Phase Transitions\, 87(10-11)\, (2014)\n\nhttps:
//indico.ifj.edu.pl/event/70/contributions/993/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/993/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Guided surface waves on interfaces of media with positive and nega
tive Poisson’s ratio
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-994@indico.ifj.edu.pl
DESCRIPTION:Speakers: Piotr Zieliński (Institute of Nuclear Physics PAN\,
Kraków)\, Marcin Majka (Institute of Nuclear Physics PAN\, Kraków)\, Pa
weł Sobieszczyk (Institute of Nuclear Physics PAN\, Kraków)\, Dominika K
uźma (Institute of Nuclear Physics PAN\, Kraków)\n\nSurfaces and interfa
ces are waveguides for some kinds of waves. The Stoneley wave occurs on th
e interface of perfectly bonded isotropic elastic materials [1]. The kind
of waves are of importance e.g in geoscience [2] and in the design of dela
y lines in acoustical waveguides [3]. Whereas the surface Rayleigh wave ex
ists on all free surfaces of elastic media\, the range of existence of the
Stoneley waves is rather narrow. It will be shown how the use of auxetics
\, i.e. the materials with negative Poisson’s ratio [4] enlarges this re
gion. Qualitatively new guided waves arise if the media are separated by a
n interlayer. The case of a thin membrane will be discussed with an emphas
is on long wavelength cut-offs. The systems under consideration admit a nu
mber of evanescent waves known as surface resonances or surface leaky wave
s [5]. \n\nReferences\n\n[1] R. Stoneley\, Proc. Royal Society of London.
Series A 106\, 416 (1924). \n[2] D. Rauch\, Marine Science 16\, 623 (1986
). \n[3] V. R. Velasco\, Physical Status Solidi A 60\, K61\, (1980).\n[4]
R. S. Lakes\, Science 235\, 1038 (1987).\n[5] P. Sobieszczyk\, M. Gałąz
ka\, P. Zieliński\, Phase Transitions 87\, 1018 (2014).\n\nhttps://indico
.ifj.edu.pl/event/70/contributions/994/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/994/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Intra- and intermolecular dynamics in liquid-crystalline substanc
e with ferro- and antiferroelectric phases
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-995@indico.ifj.edu.pl
DESCRIPTION:Speakers: Tomasz Rozwadowski (Institute of Nuclear Physics PAN
\, Kraków)\, Ewa Juszyńska-Gałązka (Institute of Nuclear Physics PAN\,
Kraków)\, Aneta Woźniak-Braszak (Institute of Physics\, Adam Mickiewicz
University\, Poznań)\, Krystyna Hołderna-Natkaniec (Institute of Physic
s\, Adam Mickiewicz University\, Poznań)\, Maria Massalska-Arodź (Instit
ute of Nuclear Physics PAN\, Kraków)\, Łukasz Kolek (Department of Mater
ials Sciences\, Rzeszów University of Technology\, Poland)\n\nFor 1-[3-fl
uoro-4-(1-methylheptyloxycarbonyl)phenyl]-2-[4’-2\,2\,3\,3\,4\,4\,4-hept
afluoro butoxybutoxy)biphenyl -4-yl]ethane (1F7) built of chiral molecules
\, intra- and intermolecular dynamics is presented. Intermolecular dynamic
s was studied by dielectric spectroscopy while intramolecular dynamics by
nuclear magnetic resonance and infrared spectroscopy. In ferroelectric SmC
*\, antiferroelectric SmC*A and highly ordered SmI*A phases of 1F7 the rel
axation processes were detected in frequency range from 0.05 Hz to 3 MHz.
Mechanisms of intermolecular dynamics were identified with the help of the
bias field [1]. Using NMR technics the following intramolecular motions w
ere detected: rotation of the CH3 and CF3 groups and reorientation of the
phenyl rings. In liquid-crystalline phases molecular processes connected w
ith rotation molecule around short and long axis were confirmed. Relaxatio
n time T1\, correlation time τ and activation barriers were calculated fo
r individual motions. Infrared spectroscopy method shows rich dynamics in
Cr1 and Cr2 crystalline phases [2].\n\nReferences\n\n[1] Kolek\, Ł.\; Mas
salska-Arodź\, M.\; Paluch\, M.\; Adrjanowicz\, K.\; Rozwadowski\, T.\; M
ajda\, D.\; Liq. Cryst. 2013\, 40\, 1082.\n[2] Kolek\, Ł.\; Massalska-Aro
dź\, M.\; Hołderna-Natkaniec\, K.\; Woźniak-Braszak\, A.\; Juszyńska-G
ałązka\, E.\; Intramolecular dynamics of a liquid crystal with fluorinat
ed molecules (1F7) (in preparation).\n\nhttps://indico.ifj.edu.pl/event/70
/contributions/995/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/995/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Challenges in theoretical description of molecular crystals for en
ergy storage
DTSTART:20150707T133000Z
DTEND:20150707T135000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1017@indico.ifj.edu.pl
DESCRIPTION:Speakers: Piotr Błoński (Institute of Nuclear Physics PAN\,
Kraków)\, Arndt Remhof (EMPA\, Dep. Materials for Energy Conversion\, Swi
tzerland)\, Yignag Yan (EMPA\, Dep. Materials for Energy Conversion\, Swit
zerland)\, Zbigniew Łodziana (Institute of Nuclear Physics PAN\, Kraków)
\n\nMetal borohydride complexes and their derivatives are of great interes
t due to their potential as hydrogen storage materials. Thermodynamic and
kinetic properties of these materials can be tuned using: mixed-metal boro
hydride complexes\; ammonia-containing metal borohydrides\; confinement of
these materials in small nanopores. Any of such procedures leads to mater
ials with complex crystalline structure that is difficult to study due to
large fraction of light elements.\nChallenges in theoretical description o
f tuned complex hydrides will be presented.\n\nhttps://indico.ifj.edu.pl/e
vent/70/contributions/1017/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/1017/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Non-exponential reverberation and its effect on sound perception
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-996@indico.ifj.edu.pl
DESCRIPTION:Speakers: Piotr Zieliński (Institute of Nuclear Physics PAN\,
Kraków)\, Paweł Sobieszczyk (Institute of Nuclear Physics PAN\, Kraków
)\, Dominika Kuźma (Institute of Nuclear Physics PAN\, Kraków)\, Marcin
Majka (Institute of Nuclear Physics PAN\, Kraków)\n\nAny acoustic signal
extinguishes progressively due to multiple reflections from the walls and
different objects in the room. The effect is called reverberation. The rev
erberation time may affect significantly the intelligibility of speech and
music [1]. Numerical and electronic sound synthesis allows one to model t
he reverberation by the convolution of the signal with the appropriate imp
ulse response function. It will be shown that a certain discreteness of th
e impulse response enhances the intelligibility but the envelope is also i
mportant. The effect of exponential envelopes will be compared with that o
f stretched exponential ones [2] and power-law type. It is known that the
non-exponential decays may result either from a multiscale nature of the p
henomenon [3] or from a non-linear behaviour [4]. Examples of the effect o
f all these variants of reverberation on the speech and music intelligibil
ity will be provided. \n\nReferences\n\n[1]. M. Valente\, H.-D. Holly\, R.
J. Ross J. (2008)\, Audiology: practice management\, Thieme\, NY\, pp. 42
5–426.\n[2] R. Metzler\, J. Klafter \, Journal of Non-Crystalline Solids
305 (2002) 81.\n[2] see e.g. M. N. Berberan-Santos\, E. N. Bodunov\, B. V
aleur\, Chemical Physics 315 (2005)\, 171. \n[3] P. Zieliński\, Physica
B: Condensed Matter 316 (2002) 603.\n\nhttps://indico.ifj.edu.pl/event/70/
contributions/996/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/996/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Molecular reorientations in the crystalline and amorphous therapeu
tic drugs
DTSTART:20150709T111000Z
DTEND:20150709T113000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-997@indico.ifj.edu.pl
DESCRIPTION:Speakers: Aleksandra Pajzderska (Faculty of Physics\, Adam Mic
kiewicz University\, Poznań\, Poland)\, Sławomir Mielcarek (Department o
f Inorganic and Analytical Chemistry\, Poznań University of Medical Scien
ces\, Poznań\, Poland)\, Anna Kiwilsza (NanoBioMedical Center\, Adam Mick
iewicz University\, Poznań\, Poland)\, Jacek Jenczyk (NanoBioMedical Cent
er\, Adam Mickiewicz University\, Poznań\, Poland)\, Marcin Jarek (NanoBi
oMedical Center\, Adam Mickiewicz University\, Poznań\, Poland)\, Kacper
Drużbicki (Faculty of Physics\, Adam Mickiewicz University\, Poznań\, Po
land)\, Paweł Bilski (Faculty of Physics\, Adam Mickiewicz University\, P
oznań\, Poland)\, Jan Wąsicki (Faculty of Physics\, Adam Mickiewicz Univ
ersity\, Poznań\, Poland)\n\nRecently\, the phenomenon of polymorphism of
therapeutic drugs has become the problem of increasing interest because o
f the common use of drugs in solid form\, as tablets\, powder inhalations\
, etc. The form of drug is sensitive to the effect of particular processes
applied in drug production. Changes in the external conditions taking pla
ce in the process of drug production or storage can induce transformations
in polymorphic forms. To ensure the proper therapeutic effect it is of vi
tal importance to get the active pharmaceutical ingredient (API) and excip
ients in strictly defined chemically pure and stable form. Possible transf
ormations in polymorphic forms can be manifested as changes in physicochem
ical properties\, e.g. in solubility\, hygroscopy\, density\, colour\, har
dness\, compressibility\, melting point\, chemical stability and reactivit
y with the excipients\, which affect bioavailability. It has been shown t
hat the polymorphic forms differing in the rate of dissolution can be used
by the organism to a different degree. It happens that one of the polymor
phic form shows a declared pharmacological effect\, while the other does n
ot because e.g. it does not reach the therapeutically needed concentration
in the blood for its low solubility. \nMany active pharmaceutical ingredi
ents and excipients are characterised by low solubility and thus inadequat
e bioavailability. Their amorphous forms usually are much better soluble t
han the crystalline forms and thus much more attractive. \nAlthough many m
ethods have been proposed for investigation of crystalline forms\, charact
erisation of amorphous forms still remains a great analytical challenge. I
t is known that the properties of amorphous forms depend to a significant
degree on molecular dynamics. It is generally believed that determination
of molecular reorientations in amorphous forms may be of key importance fo
r understanding of their physicochemical properties and for improvement in
their physical stability. \nThe lecture presents results of the studies o
f molecular dynamics of the following active pharmaceutical ingredients: l
ovastatin\, diazepam and nifedipine in the crystalline and amorphous forms
.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/997/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/997/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Investigation of structural and dynamic properties on wide space-
and time-scales by solid state NMR spectroscopy
DTSTART:20150709T081000Z
DTEND:20150709T084000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-998@indico.ifj.edu.pl
DESCRIPTION:Speakers: Marco Geppi (University of Pisa)\n\nSolid state Nucl
ear Magnetic Resonance Spectroscopy is able to give detailed bulk structur
al and dynamic information on solid systems and soft matter\, representing
one of the most powerful characterization techniques in several fields\,
ranging from pharmaceuticals to polymeric materials\, from inorganic compo
und to hybrids\, from liquid crystals to biological systems. \nStructural
information cover a space range from 0.1 to about 100 nm\, and it concern
bondings\, conformations\, intra- and inter-molecular interactions\, supra
-molecular spatial arrangements\, molecular organization in crystalline an
d amorphous phases\, interphases and interfaces\, disposition of different
domains in heterophasic systems.\nFurthermore\, concerning molecular dyna
mics\, solid state NMR allows one to characterize\, in a very detailed and
quantitative way\, rotational and inter-conformational motions with chara
cteristic correlation times ranging from seconds to picoseconds.\nIn this
lecture\, these features will be discussed mostly resorting to examples on
different classes of systems: polymers\, small organic molecules\, organi
c-inorganic hybrids\, liquid crystals\, phospholipid bilayers\, etc. \nSim
ilarities and differences between solid state NMR and other spectroscopic
and non-spectroscopic techniques used to obtain analogous and/or complemen
tary information\, such as DSC\, electronic microscopies\, X-ray diffracti
on\, dielectric spectroscopy\, will be critically discussed and analyzed.\
n\nhttps://indico.ifj.edu.pl/event/70/contributions/998/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/998/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Influence of a chemical and a structural modification on the magne
tic properties of 1D and 2D transition metal thio- and selenocyanato coord
ination polymers
DTSTART:20150707T093000Z
DTEND:20150707T100000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1000@indico.ifj.edu.pl
DESCRIPTION:Speakers: Michał Rams (Institute of Physics\, Jagiellonian Un
iversity\, Kraków)\, Zbigniew Tomkowicz (Institute of Physics\, Jagiellon
ian University\, Kraków)\, Julia Werner (University of Kiel\, Germany)\,
Jan Boeckmann (University of Kiel\, Germany)\, Susanne Wöhlert (Universit
y of Kiel\, Germany)\, Christian Näther (University of Kiel\, Germany)\n\
nRecently\, investigations on the synthesis of new magnetic materials like
\, e.g.\, single chain magnets (SCMs) has become of increasing interest. T
his behaviour was already predicted by Glauber in 1963 but experimentally
proven for the first time by Caneschi et al. in 2001. Such compounds show
a slow relaxation of the magnetization below the so-called blocking temper
ature and therefore\, are able to store a magnetic moment permanently. For
the preparation of such materials\, usually 1D compounds must be prepared
that consist of cations with a large magnetic anisotropy and a high ratio
between intra- and interchain interactions.\nIn our own work we are inter
ested in the synthesis\, structures and properties of coordination compoun
ds based on transition metal thio- and selenocyanates and neutral N-donor
co-ligands\, in which the metal cations are linked by µ-1\,3 bridging ani
onic ligands. Unfortunately for less chalcophilic metal cations like e.g.
Mn(II)\, Fe(II)\, Co(II) and Ni(II) the terminal N-coordination of the ani
ons is energetically favoured and therefore\, the synthesis of the desired
compounds is sometimes difficult to achieve. Therefore\, we have develope
d an alternative route for the synthesis of such compounds\, which is base
d on thermal decomposition reactions of suitable precursor compounds. Foll
owing our approach\, 1D and 2D compounds can selectively be prepared\, whi
ch also includes the synthesis of polymorphic modifications or different i
somers that are thermodynamically metastable at room temperature.\nIn the
course of our project\, we have prepared [Co(NCS)2(pyridine)2]n\, for whic
h slow relaxations of the magnetization\, indicative for SCM behaviour wer
e observed [1]. Starting from this observation systematic investigations o
n the influence of a chemical and structural modification on the magnetic
properties of such compounds and on the parameters that describe the perfo
rmance of such materials were performed [2-6]. These investigations strong
ly indicate that obviously a simple class of coordination compounds were d
iscovered\, in which the metal cation\, the anionic ligand and the neutral
co-ligands as well as the dimensionality of the coordination network coul
d be exchanged to some extent without losing the overall magnetic behaviou
r. Investigations that allow a deeper insight into the magnetic properties
of such compounds and that might be helpful for an optimization of such m
aterials.\n\nReferences\n\n[1] J. Boeckmann and C. Näther\, Dalton Trans.
\, \,b>2010\, 39\, 11019.\n[2] S. Wöhlert\, J. Boeckmann\, M. Wriedt and
C. Näther\, Angew. Chem. Int. Ed.\, 2011\, 50\, 6920.\n[3] J. Boeckmann a
nd C. Näther\, Chem. Commun.\, 2011\, 47\, 7104.\n[4] J. Boeckmann\, M. W
riedt and C. Näther\, Chem. Eur. J.\, 2012\, 18\, 5284.\n[5] S. Wöhlert\
, Z. Tomkowicz\, M. Rams\, S.G. Ebbinghaus\, L. Fink\, M.U. Schmidtand C.
Näther\, Inorg. Chem.\, 2014\, 53\, 8298-8310.\n[6] J. Werner\, M. Rams\,
Z. Tomkowicz\, T. Runčevski\, R. Dinnebier\, S. Suckert and C. Näther\,
Inorg. Chem.\, 2015\, 54\, 2893.\n\nhttps://indico.ifj.edu.pl/event/70/co
ntributions/1000/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/1000/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Pressure study of molecular magnet based on 3d and 4d metals
DTSTART:20150708T112000Z
DTEND:20150708T113500Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1001@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagiell
onian University\, Kraków)\, Robert PEŁKA (Institute of Nuclear Physics
PAN\, Kraków)\, Tadeusz Wasiutyński (Institute of Nuclear Physics PAN\,
Kraków)\, Piotr Konieczny (Institute of Nuclear Physics PAN\, Kraków)\n\
nThe pressure measurements of magnetic materials give the opportunity to s
tudy the fundamental aspects of magnetism. In this study a molecular ferro
magnet CoII(pyrazol)4]2[NbIV(CN)8]∙4H2O}n has been studied with the use
of ac/dc magnetometry under hydrostatic pressure up to 13 kbar. The studi
ed compound crystallizes in the I41/a space group where cyanido-bridged st
ructure is decorated with pyrazole molecules coordinated to CoII centers [
1]. It is a unique structure with one type of CoII -NC-NbIV linkage. The s
pin values of both magnetic ions are ½\, with gCo≈4.55\, gNb≈2.0 for
cobalt and niobium respectively. The phase transition in ambient pressure
occurs at TC=5.4 K. Initially applying pressure shifts the temperature of
phase transition to lower values down to a critical point\, after which fu
rther applied pressure starts to increase the TC. It has been proved that
the compound is changing from a ferromagnetic ordered magnet without press
ure to a ferrimagnet in high pressure. \n\n\n[1] D. Pinkowicz\, R. Pełka\
, O. Drath\, W. Nitek\, M. Bałanda\, A. M. Majcher\, G. Poneti and B. Sie
klucka\, Inorg. Chem\,. 2010\, 49\, 7565-7576.\n\nhttps://indico.ifj.edu.p
l/event/70/contributions/1001/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1001/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Borohydrides as Energy Storage Materials
DTSTART:20150707T130000Z
DTEND:20150707T133000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1003@indico.ifj.edu.pl
DESCRIPTION:Speakers: Zbigniew Łodziana (Institute of Nuclear Physics PAN
\, Kraków)\, Yigang Yan (EMPA\, Dep. Materials for Energy Conversion\, Sw
itzerland)\, Piotr BŁOŃSKI (Institute of Nuclear Physics PAN\, Kraków)\
, Arndt Remhof (EMPA\, Dep. Materials for Energy Conversion\, Switzerland)
\n\nThe conversion and storage of energy is becoming increasingly importan
t. Finite reserves of fossil energy carriers and growing environmental con
cerns are leading to an increased use of so-called renewable energy source
s such as solar or wind energy. A future society therefore requires materi
als to convert energy fluxes to energy carriers for the convenient storage
and transport of energy. Lightweight borohydrides such as LiBH 4 combine
high volumetric (43MJ/l) and high gravimetric (65MJ/kg) energy densities a
nd have been therefore discussed as hydrogen storage materials or rocket f
uels. Due to their high ion conductivity at high temperatures borohydries
and borohydride based materials are also considered as solid state electro
lyte for batteries and fuel cells. \nWe present the synthesis of lightweig
ht complex hydrides and their hydrogen release reactions. We introduce str
ategies to tune the desorption temperature and to enable reversibility at
near ambient conditions. On the example of LiBH4\, we discuss the origin o
f the ion conductivity and the effect of imposed disorder either by halide
additives or by nano-confinement.\n\nhttps://indico.ifj.edu.pl/event/70/c
ontributions/1003/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/1003/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Stimuli-responsive magnetic materials based on molecules: From bul
k materials to nanomaterials
DTSTART:20150707T070000Z
DTEND:20150707T074000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1004@indico.ifj.edu.pl
DESCRIPTION:Speakers: Eugenio Coronado (ICMol. Univ. Valencia)\n\nResponsi
ve materials for which physical or chemical properties can be tuned by app
lying an external stimulus are attracting considerable interest in materia
ls science. This kind of materials may be viewed as a new generation of mu
ltifunctional materials in which two (or more) functional properties are n
ot simply co-existing in the same material but strongly coupled to guarant
ee its response to the external stimulus. \nA source of stimuli-driven mol
ecular materials results from the construction of hybrid solids formed by
inserting a responsive molecule into a functional network. In this last ca
se the structural or electronic changes induced in the responsive molecule
by the applied stimulus can result in a change in the structure and prope
rties of the functional network. \nHere I will illustrate how this molecul
ar approach can be used to design a new generation of smart materials in w
hich their magnetic properties can be tuned by applying an external stimul
us. As responsive molecule I will use spin-crossover complexes and photo-s
witchable molecules. I will show three different examples: i) Magnetic co
ordination polymers which can respond to a chemical stimulus (adsorption o
f gas molecules) (1)\; ii) Photo-responsive layered magnets (2) and iii) S
pin-crossover nanoparticles which can be electrically driven (3).\n\nRefer
ences\n\n(1) E. Coronado\, G. Minguez Espallargas. Chem. Soc. Rev. 45\, 15
25 (2013).\n(2) G. Abellán\, E. Coronado\, C. Martí-Gastaldo\, A. Ribera
\, J. L. Jordá\, H. García Adv. Mater. 26\, 4156 (2014).\n(3) J. Dugay e
t al. Adv. Mater 27\, 1288 (2015)\n\nhttps://indico.ifj.edu.pl/event/70/c
ontributions/1004/
LOCATION:Flora Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1004/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Rotational Tunneling in A-methane: perturbations caused by the O2 molecules
DTSTART:20150710T074000Z
DTEND:20150710T081000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1005@indico.ifj.edu.pl
DESCRIPTION:Speakers: Igor Krasnow (IEAP\, University of Kiel\, Germany)\,
Werner Press (IEAP\, University of Kiel\, Germany)\n\nNeutron scattering
data [1] representing rotational tunneling from CH4 & 0.25% O2 have been r
eanalyzed. They were taken at the time-of-flight spectrometer IN5 of the I
LL with a wavelength of λ=13 Å. At a temperature T = 60 mK the sample wa
s fully converted and consisted of a single spin species (A-methane). A-me
thane in phase II is characterized by just one tunneling transition (inste
ad of 4): only that from A to T remains.\n The width and line shape of the
transition signals a significant perturbation of the methane crystal whic
h is highly symmetric otherwise. Obviously this is the price for the admix
ture of the paramagnetic oxygen molecules required for the nuclear spin co
nversion to take place. For a better understanding the effects of replacin
g CH4 at orientationally ordered sites (75%) and at disordered sites (25%)
are considered separately. On concentric spherical shells around the impu
rity molecules the magnitude of the perturbation decreases with increasing
radius. Finally a phenomenological model is used to fit the experimental
data.\n\n[1] A. Heidemann\, K.J. Lushington\, J.A. Morrison\, K. Neumaier
and W. Press\; J. Chem. Phys. 81 5799 – 5804 (1984)\n\nhttps://indico.if
j.edu.pl/event/70/contributions/1005/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1005/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Thermodynamic Properties of Non-ordered Spin States in Molecular C
ompounds with Geometric Frustration
DTSTART:20150708T100000Z
DTEND:20150708T103000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1006@indico.ifj.edu.pl
DESCRIPTION:Speakers: Hiroki Akutsu (Osaka University)\, Satoshi Yamashita
(Osaka University)\, Ryo Yoshimoto (Osaka University)\, Yasuhiro Nakazawa
(Osaka University)\n\nWe present unusual low-temperature thermodynamic pr
operties of two-dimensional organic triangle lattice compounds by single c
rystal calorimetry technique. The target compounds of this study are κ-(B
EDT-TTF)2Cu2(CN)3\, EtMe3Sb[Pd(dmit)2]2 and κ-H3(Cat-EDT-TTF)2\, which a
re known as typical dimer Mott insulators with strong electron correlation
s. The absence of any kind of long-range orders down to dilution temperatu
re range was confirmed by heat capacity measurements. Instead\, the low te
mperature heat capacity shows a typical feature explained by gapless excit
ations due to the formation of a liquid-like ground state. The scaling bet
ween the electronic heat capacity coefficients and magnetic susceptibiliti
es with Wilson ratio’s close to ~1 was observed\, which means that the s
pin degrees of freedom of localized pai-electrons have strong quantum fluc
tuations and carries entropy at nearly zero energy region like a Fermi liq
uid state. These features are common in three compounds\, though the struc
tures and the magnitude of transfer energies between dimers are different
with each other. \nWe also discuss chemical pressure and magnetic fields e
ffects in the low energy excitations. Throughout the detail studies of X[P
d(dmit)2]2 of which counter-cation sites expressed as X are chemically con
trolled by making mixed crystals of different cations\, we succeeded to de
rive information on the systematic variation of electronic ground states.
We observed that the spin-liquid state exists as a distinct phase and a
kind of quantum phase transition to AF and CO phases occurs with some cri
ticality peculiar for spin liquids. The relation with spin properties coup
led with other degrees of freedoms is discussed.\n\nhttps://indico.ifj.edu
.pl/event/70/contributions/1006/
LOCATION:Flora Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1006/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Polymer dynamics in nanocomposites by NMR relaxometry and dielectr
ic relaxation spectroscopy
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1007@indico.ifj.edu.pl
DESCRIPTION:Speakers: Massimiliano Labardi (IPCF-CNR\, Pisa)\, Tommaso Gua
zzini (Università La Sapienza\, Rome)\, Chiara Serraglini (Dipartimento d
i Chimica e Chimica Industriale\, Università di Pisa)\, Simona Bronco (IP
CF-CNR\, Pisa)\, Lucia Calucci (ICCOM-CNR\, Pisa)\, Silvia Pizzanelli (ICC
OM-CNR\, Pisa)\, Claudia Forte (ICCOM-CNR\, Pisa)\n\nPolymer nano-composit
es represent a class of materials of great interest for many practical app
lications. In particular\, polyvinyl butyral (PVB) is used in automotive a
nd architectural applications for laminated safety glasses thanks to its h
igh binding efficiency\, optical clarity\, and good adhesion to several di
fferent surfaces. Furthermore\, its use as a polymer matrix in nanocomposi
te materials allows interesting properties to be obtained depending on the
type of embedded inorganic nanoparticles. For example\, the use of Antimo
ny Tin Oxide (ATO) nanoparticles provides the nanocomposite material with
the capability of filtering out the near infrared (NIR) waves of sunlight
while maintaining transmission in the visible region. This property is bec
oming of relevance in building and vehicle glass construction as a consequ
ence of the worldwide energy saving and environmental preservation policie
s. \nIn this study the effects of loading PVB with ATO nanoparticles on th
e polymer dynamics were investigated combining high resolution solid state
13C NMR spectroscopy and low resolution 1H NMR relaxometry. In particular
\, 1H longitudinal relaxation times (T1) were measured in the 0.01 to 35 M
Hz frequency range by Fast Field Cycling (FFC) NMR relaxometry\, whereas 1
H transversal relaxation times (T2) were determined by Free Induction Deca
y (FID) analysis at 20 MHz. All experiments were performed on both PVB and
PVB-ATO in the temperature range between 30 and 120 °C\, the polymer gla
ss transition occurring at about 70 °C. The analyses of the dispersion cu
rves and FIDs showed that loading with ATO nanoparticles results in an inc
rease in polymer mobility.\nA comparative study with broadband dielectric
relaxation spectroscopy\, in a frequency range up to 10 MHz\, helped to el
ucidate peculiar features due to random blocks of polyvinylalcohol and pol
yvinylbutyral present in the polymer structure. Local dielectric spectrosc
opy (LDS) experiments were also performed close to the glass transition to
highlight changes in the polymer dynamic behavior at the interface with t
he nanoinclusions.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/100
7/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1007/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The effect of the unconventional hydrogen bond on the CH3 group ro
tations in the acid/base molecular complexes
DTSTART:20150709T162000Z
DTEND:20150709T163500Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1008@indico.ifj.edu.pl
DESCRIPTION:Speakers: Lucjan Sobczyk Sobczyk (professor emeritus)\, Magdal
ena Rok (Faculty of Chemistry\, University of Wroclaw)\, Grazyna Bator (Fa
culty of Chemistry\, University of Wroclaw)\n\nA forecast of the strength
of hydrogen bonds in the molecular complexes is important in the designing
of the novel organic materials exhibiting polar or semiconducting propert
ies. In such materials\, besides the formation of relatively strong hydrog
en bonds we expect either the formation of infinite chains of molecules in
the crystal lattice or the stacking alignment of molecules\, which favors
the desired electrical or optical properties.\nRecently\, the intriguing
complexes have been obtained with derivatives of either pyrazine or bipyri
dil to form supramolecular architectures. The interactions between an acid
and base molecule\, mainly via hydrogen bonds\, lead to a variety of crys
tal structures. The complex formation by an engagement of the lone electro
n pairs as the proton acceptors substantially changes the symmetry of the
molecule and consequently the environment of methyl groups\, which affects
their dynamics.\nThe parameters of the methyl (-CH3) group rotational pot
ential may be a probe of both the charge transfer phenomenon and the local
contacts in the crystal. The most important technique we used to determin
e methyl group dynamics in molecular complexes involved neutron scattering
. The parameters of the -CH3 rotational potential can be estimated on its
basis. Particularly we can derive (i) the tunneling splitting at low tempe
rature\, (ii) the jump-diffusional rotation rate at moderate temperature (
Quasielastic Neutron Scattering [QENS])\, and (iii) the torsional energy (
Inelastic Neutron Scattering [INS]). The number of the observed tunneling
peaks for the particular molecular complex is related to the number of th
e inequivalent methyl groups in the crystal structure.\nSeveral examples s
how an effect of the unconventional C-H...O or C-H...N hydrogen bonds and
so called short contacts on the possible tunneling of the CH3 groups at l
ow temperatures.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1008/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1008/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Tuning of magnetic field-induced properties of Mn9W6-based networks
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1009@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Maciej Kubicki (Faculty of Chemistry\, Adam Mic
kiewicz University\, Poznań)\, Michał Rams (Institute of Physics\, Jagie
llonian University\, Kraków)\, Tadeusz Wasiutyński (Institute of Nuclear
Physics PAN\, Kraków)\, Robert PEŁKA (Institute of Nuclear Physics PAN\
, Kraków)\, Piotr Konieczny (Institute of Nuclear Physics PAN\, Kraków)\
, Robert Podgajny (Faculty of Chemistry\, Jagiellonian University\, Krakó
w)\, Szymon Chorąży (Faculty of Chemistry\, Jagiellonian University\, Kr
aków)\, Wojciech Nogaś (Faculty of Chemistry\, Jagiellonian University\,
Kraków)\n\nPentadecanuclear {MII9[M’V(CN)8]6Lx(solv)y} (M - paramagnet
ic 3d cation\, M’ – paramagnetic Mo\, W centers\, L – chelating and
bridging ligands) high-spin clusters are of scientific interest because of
magnetic properties\, notably slow magnetic relaxation and single molecul
e magnet behavior\, magnetocaloric effect\, and structural/spin phase tran
sitions. A variety of discrete and extended coordination frameworks could
be attained by incorporation of organic ligands\, as was demonstrated in p
revious research. These properties enable us to use the clusters as the se
condary building blocks (SBBs) in multifunctional materials exploiting the
external control of structural and magnetic state [1-4].\nUsing the block
ing 4\,4’-di-tert-butyl-2\,2’-bipyridine (ditbubpy) and the bridging a
ldrithiol-4 (ald-4)\, we obtained two new compounds: {Mn9[W(CN)8]6(ditbubp
y)8(MeOH)6(H2O)3(iPr2O)2} (1) and {Mn9[W(CN)8]6(ald-4)4(MeOH)24} (2). We s
uccessfully tuned the intercluster distances and overall spatial distribut
ion of Mn9W6 secondary building block. 1 is composed of fairy distinguishe
d 1-D supramolecular chains\, while 2 contains 1-D coordination chains due
to bridging and decorating function of ald-4\, with more isotropic cluste
rs distribution. This provided the opportunity to study magnetic field ind
uced properties: slow magnetic relaxation and magnetocaloric effect.\n\nRe
ferences\n\n[1] D. Pinkowicz\, R. Podgajny\, B. Nowicka\, S. Chorąży\, M
. Reczyński\, B. Sieklucka\, Inorg. Chem. Front. 2015\, 2\, 10-27. \n[2]
M. G. Hilfiger\, H. Zhao\, A. Prosvirin\, W. Wernsdorfer\, K. R. Dunbar\,
Dalton Trans. 2009\, 5155–5163.\n[3] R. Sessoli\, Angew. Chem. Int. Ed.
2012\, 1\, 43–45. \n[4] R. Podgajny\, S. Chorąży\, W. Nitek\, M. Rams\
, A. M. Majcher\, B. Marszałek\, J. Żukrowski\, C. Kapusta\, B. Siekluck
a\, Angew. Chem. Int. Ed. 2013\, 52\, 896–900.\n\nhttps://indico.ifj.edu
.pl/event/70/contributions/1009/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1009/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Mainstream and alternative routes to photoinduced phase transition
s
DTSTART:20150708T074000Z
DTEND:20150708T081000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1010@indico.ifj.edu.pl
DESCRIPTION:Speakers: Maciej Lorenc (CNRS-University Rennes 1)\n\nThe gene
ral excitement born out of the ultrafast clock caused rush of new ideas\,
new materials\, and new instruments. One feat in particular has been drain
ing a lot of effort\, namely the control of materials with an ultrashort l
aser pulse. There is ample evidence now that materials can be directed bet
ween different macroscopic states by using appropriate electronic\, or str
uctural\, excitations. The switching with a laser pulse of such materials
can severely change their macroscopic properties (electric conductivity\,
magnetism\, colour\, etc.)\, whereby emerging cooperativity and coherence
of different degrees of freedom underpin the resulting phase transitions o
f various sorts. However\, the pertinent time scales for photo-switching p
rocesses in materials have been rather difficult to scrutinise. The pionee
ring investigations dealt mainly with the electron/phonon dynamics immedia
tely following the femtosecond excitation\, or the kinetics of recovery to
the thermally stable states. Time-resolved X-ray diffraction and ultrafas
t VIS-IR spectroscopy reveal that the degrees of freedom triggered by a fe
mtosecond laser pulse in a spin-crossover (SCO) material follow a sequence
in the out-of-equilibrium dynamics. Those steps dissected in time\, provi
ded a mechanistic picture of a material transformation driven under differ
ent regimes (coherent or stochastic). The role of coherent optical phonons
has been intensively investigated\, whereas that of acoustic phonons and
cell deformations\, albeit looked upon\, has not benefited from the same s
urge of effort. They involve propagation of a strain waves\, essentially d
etermined by sound velocity. The coupling between the strain wave and the
order parameter field raises a challenging question whether such coupling
can lead to material transformation. SCO crystals composed of bistable mol
ecules where the cooperativity is mainly governed by the change of molecul
ar "volume" between the two states provide an excellent test bed for addre
ssing this question. We have investigated such materials over several time
decades\, and on samples of very different size\, from nano- to macro-cry
stals. These studies bring the photo-switching of materials into new persp
ective\, notwithstanding its common perception\, uniquely related to elect
ronic or optical phonon dynamics.\n\nhttps://indico.ifj.edu.pl/event/70/co
ntributions/1010/
LOCATION:Flora Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1010/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Studies of magnetic and photomagnetic properties of a new member o
f Cu(II)-Mo(IV) photomagnetic family
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1011@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Wojciech Nitek (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagie
llonian University\, Kraków)\, Tomasz Korzeniak (Faculty of Chemistry\, J
agiellonian University\, Kraków)\, Sujit Sasmal (Faculty of Chemistry\, J
agiellonian University\, Kraków)\n\nIn molecular magnetism\, the use of [
M(CN)8]n– (M= Mo\, W\; n=3\, 4) ions as building block for the generatio
n of cyanido bridged coordination polymers is growing rapidly due to their
potential functionalities [1]. In the paramagnetic [M(CN)8]n– (M= Mo\,
W\; n=3] ions the metal centre provides more diffuse single occupied orbit
al which causes stronger magnetic exchange interaction [1\,2]. On the othe
r hand the diamagnetic [M(CN)8]n– (M= Mo\, W\; n=4] ions show interestin
g photoredox properties which make them interesting photomagnetic material
s after photo irradiation [3]. Within this family\, the CuII–[Mo(CN)8]4
– assemblies have been extensively studied. Keeping this point in mind\,
we have synthesized novel coordination polymer [Cu(1\,2-DAP)2Mo(CN)8]n[Cu
(1\,2-DAP)2H2O]n∙3nH2O (1) (1\,2-DAP = 1\,2-diaminopropane). The X-ray c
rystal structure analysis reveals that (1) consists of anionic chains and
cationic [Cu(1\,2-DAP)2H2O]+ species between the chains. The magnetic pro
perties of (1) is related to two uncoupled paramagnetic copper(II) centers
. The solid state UV-vis-NIR absorption spectra have revealed the presence
of the band at 430 nm for (1)\, which can be attributed to the MMCT band.
After the irradiation of compound (1) with the light of 430 nm a photo re
sponse consisting of increase of magnetic susceptibility and magnetization
at 1.8 K has been found.\n\nReferences\n\n[1] (a) B. Nowicka\, T. Korzeni
ak\, O. Stefańczyk\, D. Pinkowicz\, S. Chorąży\, R. Podgajny and B. Sie
klucka\, Coord. Chem. Rev. 2012\, 256\, 1946\; (b) P. Przychodzeń\, T. Ko
rzeniak\, R. Podgajny and B. Sieklucka\, Coord. Chem. Rev. 2006\, 250\, 22
34\; (c) B. Sieklucka\, R. Podgajny\, P. Przychodzeń and T. Korzeniak\, C
oord. Chem. Rev. 2005\, 249\, 2203.\n[2] (a) D. Visinescu\, C. Desplanches
\, I. Imaz\, V. Bahers\,R. Pradhan\, F. A. Villamena\, P. Guionneau and J.
-P. Sutter\, J. Am. Chem. Soc. 2006\, 128\, 10202\; (b) L. F. Chibotaru\,
V. S. Mironov and A. Ceulemans\, Angew. Chem.\, Int. Ed. 2001\, 40\, 4429.
\n[3] (a) M. A. Carvajal\, M. Reguero and C. de Graaf\, Chem. Commun. 2010
\, 46\, 5737\; (b) O. Bunau\, M.-A. Arrio\, Ph. Sainctavit\, L. Paulatto\,
M. Calandra\, A. Juhin\, V. Marvaud and C. Cartier dit Moulin\, J. Phys.
Chem. A 2012\, 116\, 8678\; (c) N. Bridonneau\, J. Long\, J.-L. Cantin\, J
. von Bardeleben\, S. Pillet\, E.-E. Bendeif\, D. Aravena\, E. Ruiz and V.
Marvaud\, Chem. Commun. 2015\, DOI: 10.1039/C5CC01714A.\n\nhttps://indico
.ifj.edu.pl/event/70/contributions/1011/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1011/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Photo-isomerization in a model of ruthenium nitrosyl compound: two
-step photon absorption process
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1012@indico.ifj.edu.pl
DESCRIPTION:Speakers: Isabelle Malfant (LCC\, UPR 8241 CNRS\, 31077 Toulou
se\, France)\, Maciej Lorenc (IPR\, UMR 6251 UR1-CNRS\, 35042 Rennes\, Fra
nce)\, Wawrzyniec Kaszub (IPR\, UMR 6251 UR1-CNRS\, 35042 Rennes\, France)
\, Marylise Buron-Le Cointe (IPR\, UMR 6251 UR1-CNRS\, 35042 Rennes\, Fran
ce)\, Liya Khadeeva (Insitute of Physics of Rennes\, University of Rennes
1)\n\nBy means of visible absorption spectroscopy and X-Ray diffraction th
e photo-switching between the ground state nitrosyl (GS)\, isonitrosyl (SI
) and side-on (SII) configurations under continuous light irradiation is s
tudied in the [Ru(py)4Cl(NO)](PF6)2∙1/2H2O system [1]. It is a remarkabl
e model compound in the family of systems containing [ML5NO] molecule\, wh
ere M=Fe\, Ru... and L=F\, Cl... and usually only few percent of metastabl
e populations [2]\, as its GS to SI transformation efficiency is close to
1 [3]. This makes ruthenium nitrosyl system a perfect candidate for the ph
otoisomerization studies. Moreover\, study of this compound could also hel
p in understanding another photo-chemical process\, such as NO release\, w
here SI and SII metastable states are suggested to be the intermediate ste
ps before the formation of NO radical [2].\nA predominant two-step photon
absorption process during GS to SI switching under blue light is shown. Du
ring the depopulation of SI\, both two-step and direct processes are evide
nced under red light. With infra-red excitation\, SII is significantly pop
ulated before a thermal relaxation to GS\, as shown by specific structural
and optical signatures. In addition\, different optical spectra associate
d with transient species (SII) during GS to SI and reverse processes will
be discussed in relation with SII properties.\n\nReferences\n\n[1] L. Khad
eeva et al\, submitted.\n[2] R. v. Eldik\, J. A. Olabe\, NOx Related Chemi
stry\, Ac. Press\, Waltham\, 2015.\n[3] B. Cormary et al\, Acta Cryst. 200
9\, B65\, 612-623.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/101
2/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1012/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Ultrathin molecular layers of fluorescent dyes for applications in
organic luminescence diodes
DTSTART:20150709T140000Z
DTEND:20150709T143000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1013@indico.ifj.edu.pl
DESCRIPTION:Speakers: Tomasz Martynski (Faculty of Technical Physics\, Poz
nań University of Technology\, Poland)\n\nOrganic semiconducting material
s have attracted much attention due to their potential application in fiel
d effect transistors with organic gate (OFETs)\, light-emitting organic la
yers in diodes (LEDs)\, inexpensive and flexible photovoltaic cells (OPVs)
\, and a large variety of sensors. Commonly\, organic semiconducting mater
ials are classified as either p-type (hole-conducting) or n-type (electron
-conducting)\, depending on which type of charge carrier is preferentially
transported through the layer of the semiconductor. Chemically stable org
anic p-type semiconductors have such properties that meet the requirements
for use in many applications. However\, n-type organic semiconductor\, wh
ich are required for the manufacturing of complementary electronic circui
ts\, are rare and much less developed. Nowadays\, n-type materials possess
low carrier mobility\, are unstable in ambient condition\, and pose diffi
culties in synthesis. \nThe n-type or p-type materials can be synthesized
as derivatives of perylene-3\,4:9\,10-tetracarboxylic acid (Pn) with four
lateral alkyl chains composed of n number of carbon atoms (n=2 – 13) and
complementary molecules (PCn) with four chlorine atoms attached in bay po
sition to the perylene core. Optical and electrical properties of this dye
s are exceptional\, and can be used in a variety of devices.\nIn this talk
I would like to present the results of our experiments with two groups Pn
and PCn of highly fluorescent perylene derivatives in the form of ultrath
in layers prepared by spin-coating\, Langmuir-Blodgett or Langmuir-Schaefe
r techniques and thermal evaporation in a high vacuum chamber. The m
olecular layers were deposited onto quartz plates for spectroscopic charac
terization and onto ITO electrodes for electrical measurements. For compar
ison the spectroscopic parameters of the dye investigated were measured in
strongly dilute chloroform solutions and in the polycrystalline form. Flu
orescence quantum yields of the ultrathin dye layers and the dye powders\,
the main optical parameter for emissive layers\, were compared for both
types of the dyes to find the influence of the substituents on spectral p
roperties of the dyes. In order to do this\, the intensity of the excitati
on and fluorescence were measured with high accuracy by using an integrati
ng sphere. These techniques allow us to measure the absolute emission quan
tum yield even in the case of monomolecular films. Also textures of the f
ilms deposited by all used techniques were analyzed in nanoscale by using
atomic force microscope AFM working in tapping mode. \n\n\nAcknowledgments
\nThis work was financially supported within the project 06/64/DSPB/0418.\
n\nhttps://indico.ifj.edu.pl/event/70/contributions/1013/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1013/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Photomagnetic effect in discrete Cu-Mo cyanido-bridged molecules
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1014@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Wojciech Nitek (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Tomasz Dańko (Faculty of Chemistry\, Jagiell
onian University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagi
ellonian University\, Kraków)\, Tomasz Korzeniak (Faculty of Chemistry\,
Jagiellonian University\, Kraków)\n\nThe molecular systems based on [MV(C
N)8]3–/4– (M=Mo\, W) have attracted great attention over last years\,
mainly due to the formation of many interesting magnetic systems [1]. The
charge-transfer phenomena in cyanido-bridged molecular systems allows for
the control of magnetic bistability\, leading to potential functional mate
rials. The diamagnetic [MoIV(CN)8]4– ions have been successfully used in
design of molecular systems switchable by light [2]. The most intensively
studied group of photomagnetic cyanido-bridged assemblies is based on cop
per(II) complexes and octacyanidomolybdate(IV) ions. \nHere we present two
cyanido-bridged molecules: [Cu(L1)(py)]4[MoIV(CN)8]•14H2O (1) and {[Cu
(L2)][Cu(L2)(H2O)][MoIV(CN)8]•10H2O} (2) employing the tridentate L1 and
tetradentate L2 tailored Schiff base ligands\, respectively. The control
of the number of metal centers has been obtained by the number of labile c
oordination sites at CuII as well as the charge balance. \nThe magnetic p
roperties of (1) and (2) are typical for uncoupled paramagnetic copper(II)
complexes. The solid state spectra revealed the presence of the bands nea
r 500 nm and 440 nm for (1) and (2)\, respectively\, which can be attribut
ed to the MMCT bands. The irradiation of (1) with the light of 470 nm resu
lted in 20% increase of the magnetic susceptibility.\n\nReferences\n\n[1]
Barbara Sieklucka\, Robert Podgajny\, Tomasz Korzeniak\, Beata Nowicka\, D
awid Pinkowicz\, Marcin Kozieł\, Eur. J. Inorg. Chem. 2011\, 305-326\; B
eata Nowicka\, Tomasz Korzeniak\, Olaf Stefańczyk\, Dawid Pinkowicz\, Szy
mon Chorąży\, Robert Podgajny\, Barbara Sieklucka\, Coord. Chem. Rev. 20
12\, 256\, 1946-1971. \n[2] M. A. Carvajal\, M. Reguero\, C. de Graaf\, Ch
em. Commun. 2010\, 46\, 5737–5739\; O. Bunau\, M.-A. Arrio\, Ph. Saincta
vit\, L. Paulatto\, M. Calandra\, A. Juhin\, V. Marvaud\, C. Cartier dit M
oulin \, J. Phys. Chem. A 2012\, 116\, 8678-8683\; N. Bridonneau\, J. Long
\, J.-L. Cantin\, J. von Bardeleben\, S. Pillet\, E.-E. Bendeif\, D. Arave
na\, E. Ruiz\, V. Marvaud\, Chem. Commun. 2015\, DOI: 10.1039/C5CC01714A.\
n\nhttps://indico.ifj.edu.pl/event/70/contributions/1014/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1014/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Effect of pressure on time and length scales of molecular dynamics
in the density scaling regime
DTSTART:20150709T155000Z
DTEND:20150709T160500Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1015@indico.ifj.edu.pl
DESCRIPTION:Speakers: Marian Paluch (Institute of Physics\, University of
Silesia)\, Kajetan Koperwas (Institute of Physics\, University of Silesia)
\, Katarzyna Grzybowska (Institute of Physics\, University of Silesia)\, A
ndrzej Grzybowski (Institute of Physics\, University of Silesia)\n\nOur th
orough analyses of high pressure experimental data of various glass former
s that belong to different material groups (such as van der Waals supercoo
led liquids\, polymer melts\, and supercooled ionic liquids) clearly show
that some previous suppositions concerning interrelations between time and
length scales of molecular dynamics near the glass transition require rev
isiting. This is a straightforward consequence of a phenomenon of isochron
al decoupling observed by us [1-3] between time and dynamic length scales
of molecular dynamics\, which have been determined using the structural re
laxation time τ and the maximum of the four-point dynamic susceptibility
function χ4max. At first glance\, these results seem to be disadvantageou
s to perspectives of finding a simple universal description of the glass t
ransition and related phenomena. However\, a very successful application o
f proper density scaling law to the decoupling phenomena yields a very pos
itive outcome of our investigations. What is more\, very recently\, we hav
e established [4] an analogous pattern of the density scaling behavior for
the total system entropy S defined thermodynamically and the excess entro
py Sex defined in the way employed in the theory of isomorphs as a differe
nce between S and the entropy of an ideal gas at the same density and temp
erature. As a consequence\, the phenomena of isochronal decoupling between
τ\, χ4max\, S\, and Sex explored by us using high pressure experimental
data can be described by a general relation τ = hX(ρΔxγwX(X)) with Δ
Xγ = γ – γX\, where X = τ\, χ4max\, S\, and Sex. The relation clear
ly shows that the time scale τ of molecular dynamics cannot be in general
any unique function of X (= χ4max\, S\, and Sex). To formulate such a pr
oper function hX in case of real glass formers\, an additional density dep
endent factor is required. In the power law density scaling regime\, the f
actor is a power density function\, the exponent of which is a difference
between the scaling exponents γ and γX and can be considered as a good m
easure of the isochronal decoupling between the time scale of molecular dy
namics τ and the physical quantity X. \n\n[1] A. Grzybowski\, K. Koperw
as\, K. Kolodziejczyk\, K. Grzybowska\, and M. Paluch\, J. Phys. Chem. Le
tt. 4\, 4273 (2013).\n[2] K. Koperwas\, A. Grzybowski\, K. Grzybowska\, Z
. Wojnarowska\, A. P. Sokolov\, and M. Paluch\, Phys. Rev. Lett. 111\, 1
25701 (2013).\n[3] A. Grzybowski\, K. Kolodziejczyk\, K. Koperwas\, K. Grz
ybowska\, and M. Paluch\, Phys. Rev. B 85\, 220201(R) (2012).\n[4] K. Gr
zybowska\, A. Grzybowski\, S. Pawlus\, J. Pionteck\, and M. Paluch\, arXiv
:1406.4563v3.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1015/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1015/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The Ising model on a square lattice with stochastic interactions
DTSTART:20150707T141000Z
DTEND:20150707T143000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1016@indico.ifj.edu.pl
DESCRIPTION:Speakers: Robert Gębarowski (Institute of Physics\, Cracow Un
iversity of Technology)\n\nThe Ising model offers an excellent testing gro
und for examining classical and quantum phase transitions. Although the I
sing model has been studied extensively for a long time (see e.g. [1])\, i
ts analytical solutions are known only for some cases. Applications of the
Ising model are reaching far beyond molecular level of physical complexit
y\, scaling and universality of critical phenomena. For example\, it has b
een shown that the Ising model is capable of reproducing complex behaviour
of actual financial and economic markets [2]. \nIn the present study\, I
will discuss the Ising model on a square lattice with no external field in
the case when the spin coupling interactions are known with some uncertai
nity. The uncertainty itself is modeled by the addition of a Gaussian nois
e to the interactions. The model is studied by means of Monte Carlo simula
tions using the Metropolis algorithm according to the implementation descr
ibed by other authors [3\, 4]. Numerical results for the so called Binder
rations [4]\, related to the finite-size lattice scaling properties\, give
a clear evidence of the shift in the value of the effective critical temp
erature due to the presence of the random Gaussian interactions [5]. \nThi
s finding may have an application when comparing experimental results with
some phase transition theory predictions. In particular\, the results obt
ained in the present study give some indication regarding possible effects
which may arise due to uncertainties of the system parameters in real exp
erimental situations.\n\nReferences\n\n[1] Baxter R.J.\, Exactly Solved Mo
dels in Statistical Mechanics\, Academic Press\, New York 1982.\n[2] Bornh
oldt S.\, Expectation Bubbles in a Spin Model of Markets: Intermittency fr
om Frustration across Scales\, International Journal of Modern Physics C 1
2 (5)\, 667-674 (2001).\n[3] Sandvik A.W.\, Computational Studies of Quant
um Spin Systems\, [in:] A. Avella\, F. Mancini (Eds.)\, Lectures on the Ph
ysics of Strongly Correlated Systems XIV\, AIP Conference Proceedings 1297
\, 135-338 (2010).\n[4] Binder K.\, Luijten E.\, Monte Carlo tests of reno
rmalization-group predictions for critical phenomena in Ising models\, Phy
sics Reports 344\, 179-253 (2001).\n[5] Gębarowski R.\, Monte Carlo simul
ations of the Ising Model on a square lattice with random Gaussian interac
tions\, Technical Transactions. Fundamental Sciences 3-NP\, 51-57 (2014).\
n\nhttps://indico.ifj.edu.pl/event/70/contributions/1016/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/1016/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Molecular dynamics of some liquid crystal glass-formers
DTSTART:20150707T150000Z
DTEND:20150707T152000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1018@indico.ifj.edu.pl
DESCRIPTION:Speakers: Jan Krawczyk (Institute of Nuclear Physics PAN\, Kra
ków)\n\nThe phase situation and molecular motions of some cyanobiphenyl c
ompounds with different terminal chains were studied in our group using va
rious experimental methods [1-4]. Rich phase polymorphism was found for ch
iral isomers. \nThe main topic of this lecture will be two of the liquid c
rystal glass-formers of this group: (S)-4-(2-methylbutyl)-4'-cyanobiphenyl
(5*CB) and (S)-4-(1-methylheptyloxy)-4’-cyanobiphenyl (8*OCB). Their p
hase situation obtained by adiabatic calorimetry and the results of the in
elastic and quasi-elastic neutron scattering experiments will be discussed
. \nThe quasi-elastic neutron scattering experiments were performed for is
otropic liquid phase of 5*CB and 8*OCB for various temperatures and scatte
ring angles. The spectra were described by a model consisting of two stoch
astic movements: reorientation of the whole molecule around the long molec
ular axis and diffusive motions of the protons in the terminal chains of t
he molecule.\nThe inelastic neutron scattering experiments were performed
for phase I\, glass of phase II and glass of cholesteric phase for 5*CB an
d phase II\, glass of phase I and glass of isotropic liquid for 8*OCB. The
boson peak was observed for most of the experiments. The quasi-elastic br
oadening of the elastic line was observed as well. The tunnel splitting su
ggested for temperatures lower than 1 K by relaxation calorimetry experime
nt was not observed.\n\n\n[1] J. Mayer\, J. Krawczyk\, M. Massalska-Aro
dź\, I. Natkaniec\, J.A. Janik\, O. Steinsvoll\, Physica B\, 371 (2006) 2
49.\n[2] A. Inaba\, H. Suzuki\, J. Krawczyk\, M. Massalska-Arodź\, Che
mical Physics Letters\, 463 (2008) 90.\n[3] H. Suzuki\, A. Inaba\, J. K
rawczyk\, M. Massalska-Arodź\, T. Kikuchi\, O. Yamamuro\, Journal of Non-
Crystalline Solids\, 357 (2011) 734.\n[4] A. Inaba\, M. Massalska-Arod
ź\, H. Suzuki\, J. Krawczyk\, Molecular Crystals and Liquid Crystals\, 54
0 (2011) 102.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1018/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1018/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Quasielastic neutron scattering studies of glass-forming 3\,3-dim
ethylbutan-2-ol (33DM2B) and crystalline 2\,3-dimethylbutan-2-ol (23DM2B)
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1019@indico.ifj.edu.pl
DESCRIPTION:Speakers: Michaela Zamponi (JCNS & ICS\, Forschungszentrum Jü
lich\, Germany)\, Maria Massalska-Arodź (Institute of Nuclear Physics PAN
\, Kraków)\, Mirosław Gałązka (Institute of Nuclear Physics PAN\, Krak
ów)\, Wojciech Zając (Institute of Nuclear Physics PAN\, Kraków)\, Ewa
Juszyńska-Gałązka (Institute of Nuclear Physics PAN\, Kraków)\n\n3\,3-
dimethylbutan-2-ol\, 2\,3-dimethylbutan-2-ol\, are two of seventeen isomer
s of hexanol of the same chemical formula C6H13OH differing in physical pr
operties. These are interesting representatives of a class of soft matter
functional materials being isomeric varieties. The structure of hexanol gl
obular molecule\, strongly influencing their intermolecular interactions\,
facilitates the occurrence of the glassy state in these materials. 33DM2B
easily undergoes vitrification\, while 23DM2B never becomes glassy. The p
lastic crystal phase has properties of both the solid phase – translatio
nal order of molecules – and the liquid phase – orientational disorder
of molecules and the high-valued amplitude of atomic vibrations and stoch
astic dynamics that can be detected by neutron scattering and absorption s
pectroscopic measurements. \nThe mean square displacement of the hydrogen
nuclei from the equilibrium positions for (highly) ordered crystal phase i
s about 0.2 Å2 (even very close to the crystal melting point). This can b
e compared with the corresponding mean-square displacement in plastic crys
tal phases\, amounting to slightly less than 1 Å2 (for temperatures close
to plastic crystal solid-solid phase transitions and to the melting point
of plastic crystal). The neutron scattering “elastic window scan” mea
surements allow us to determine the temperature of vitrification of plasti
c crystal phase at about 200 K and the temperature of freezing of the rota
tional degrees of freedom at about 120 K.\nStochastic molecular dynamics o
f two alcohols was studied by Quasielastic Neutron Scattering. The overrid
ing goal here is to understand better the processes that allow the formati
on of glassy state in these alcohols or lack thereof (apart from a more-or
-less globular molecular shape). The experiment was performed on the SPHER
ES backscattering instrument\, for temperature range from 4 K to 300 K and
momentum transfer range 0.2 Å−1− 1.8 Å−1\, with the temperature v
arying in both directions. Neutron scattering proved the only experimental
technique capable of detecting the softening of the 33DM2B glass-of-rotat
ional state. The narrow component of the QENS spectra is almost 2 µeV\, w
hile the broader systematically changes with temperature and appropriate p
hase. The CH3 reorientation was observed even at 60 K. The activation ener
gy for this motion was estimated to be 9 kJ∙mol−1.\n\nhttps://indico.i
fj.edu.pl/event/70/contributions/1019/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1019/
END:VEVENT
BEGIN:VEVENT
SUMMARY:New class of chiral azobenzene mesogens: 4-[(E)-(4-alkylphenyl)dia
zenyl]phenyl cholesteryl adipates
DTSTART:20150709T163500Z
DTEND:20150709T165000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1020@indico.ifj.edu.pl
DESCRIPTION:Speakers: Izabela Niezgoda (Faculty of Chemistry\, University
of Wroclaw\, Poland)\, Justyna Czeszejko-Sochacka (Faculty of Chemistry\,
University of Wroclaw\, Poland)\, Zbigniew Galewski (Faculty of Chemistry\
, University of Wroclaw\, Poland)\n\nLiquid-crystalline azobenzene derivat
ives are today very important materials in modern opto-electronics [1\,2].
Chiral moiety can induce extra new structures and physical properties. In
this communication after short review about mesogenic chiral azobenzenes
a new series of compounds are presented [3].\nFour types of mesophases wer
e identified: chiral nematic\, smectic A*\, smectic C* and TGBA. For decyl
derivative freezing process is not observed. Glass state is created.\nBy
the use of the UV-Vis spectroscopy the photoisomerization studies were con
ducted. Moreover\, the circular dichroism (CD) spectra were measured. \n\n
References\n\n[1] Q. Li\, Liquid Crystals Beyond Displays. Chemistry\, Phy
sics and Applications\, Wiley\, 2012. \n[2] A. Sobolewska\, J. Zawada\, S.
Bartkiewicz\, and Z. Galewski\, J. Phys. Chem. C 117\, 10051−10058 (201
3).\n[3] J. Czeszejko-Sochacka\, PhD Thesis\, University of Wrocław\, 201
0.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1020/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1020/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Catalytic activity of selected heteropolyacids. Theory vs. experi
ment.
DTSTART:20150709T130000Z
DTEND:20150709T133000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1021@indico.ifj.edu.pl
DESCRIPTION:Speakers: Aleksandra Kirpsza (Jerzy Haber Institute of Catalys
is and Surface Chemistry\, Polish Academy of Sciences\, Kraków)\, Urszula
Filek (Jerzy Haber Institute of Catalysis and Surface Chemistry\, Polish
Academy of Sciences\, Kraków)\, Anna Micek-Ilnicka (Jerzy Haber Institute
of Catalysis and Surface Chemistry\, Polish Academy of Sciences\, Kraków
)\, Robert Grybos (Jerzy Haber Institute of Catalysis and Surface Chemistr
y\, Polish Academy of Sciences\, Kraków)\, Renata Tokarz-Sobieraj (Jerzy
Haber Institute of Catalysis and Surface Chemistry\, Polish Academy of Sci
ences\, Kraków)\, Piotr Niemiec (Jerzy Haber Institute of Catalysis and S
urface Chemistry\, Polish Academy of Sciences\, Kraków)\, Małgorzata Wit
ko (Jerzy Haber Institute of Catalysis and Surface Chemistry\, Polish Acad
emy of Sciences\, Kraków)\n\nHeteropolyacids (HPA) belong to a group of c
ompounds\, which due to their acid-base and redox properties catalyze the
broad spectrum of reactions both homogeneous and heterogeneous. This is du
e to their specific properties\, among which versatility of electronic and
geometry structures\, chemical compositions\, reaction performance\, ther
mal stabilities and stabilities in solutions are worth to be mentioned. Th
e structure of HPA allows for many different modifications of primary\, se
condary and tertiary structures providing an opportunity to tailor their c
atalytic properties. \nSystems\, in which one of addenda atom is substitut
ed by transition cation\, are successfully used in reactions of selective
oxidation of saturated and unsaturated\, chain and cyclic hydrocarbons\, w
here the presence of reactive oxygen species (ROS) such as singlet oxygen
O2\, superoksoions O2-\, hydroxo or hydroperoksoradicals (respectively HO
∙ or HOO∙) are required. On the other hand HPA salts are used in react
ions where acidic properties of catalysts are of primary importance. \nOx
idation properties of heteropolyacids are studied as a function of: differ
ent transition metal or addenda atoms incorporated to the system\, various
forms of oxygen species adsorbed on the system\, different solvents. In p
arallel\, different mechanisms proposed for the generation of acidity in t
otally exchanged 12-tungsto- and 12-molybdo-phosphoric acid containing Al3
+\, Ga3+ and In3+ as counter-cations are discussed. As a test reaction eth
anol conversion is considered. DFT methods are used to study atomic charge
s\, bond orders\, energy and character of frontier orbitals\, density of s
tates. Theoretical results are confronted against experimental ones.\nInco
rporation of transition metal in the structure of Keggin anions influences
acidic/base character of active centers\, characters of frontier orbitals
as well as energy of interaction with substrates\, changes are of local c
haracter. Changes of energetics of frontiers orbitals are larger in case o
f HPW than in HPMo. As the results of TM incorporation to Keggin structure
additional new picks 3d TM characters arrive\, located between valence an
d conduction bands.\nInteraction of TM ions with oxygen species depends on
chemical character of TM\, solvent\, geometric environment and substrate
character. HPA systems modified by TM interacts with solvent molecule that
becomes a six ligand. Here\, exchange of ligands is energetically more fa
vorable in case of PTMMo than in PTMW. Adsorption of O2 leads to the forma
tion of single TM-OO bonds\, the O2 molecule becomes activated. The effect
is similar for both of PTMMo and PTMW.\nResults of combined theoretical a
nd experimental approaches show that MPW12O40 and MPMo12O40 \, M= Al3+\, G
a3+\, In3+ exhibit weak redox properties only for MPMo (small amount of ac
etaldehyde that is redox product is formed) or none for MPW salts. All tes
ted salts exhibit strong acidic properties (i.e. the diethyl ether and eth
ylene) and the amount of both products strongly depends on chemical charac
ter of counter-cations and chemical character of addenda atoms in Keggin a
nions. The catalytic activities of MPMo/MPW salts is found to change in th
e following way: HPW > GaPW > InPW > AlPW >>> HPMo > GaPMo > InPMo > AlPMo
.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1021/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1021/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Polymorphism\, structure and dynamics investigations of 4-n-heptyl
-2’\,3’-difluoro-4’-undecyloxybiphenyl and 4-n-heptyl-2’\,3’-di
fluoro-4’-nonyloxybiphenyl
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1022@indico.ifj.edu.pl
DESCRIPTION:Speakers: Natalia Osiecka (Institute of Nuclear Physics PAN\,
Kraków)\, Natalia Kmieć (Institute of Physics\, Cracow University of Tec
hnology)\, Michał Kielian (Institute of Physics\, Cracow University of Te
chnology)\, Andrzej Budziak (Institute of Nuclear Physics PAN\, Kraków)\,
Ewa Juszyńska-Gałązka (Institute of Nuclear Physics PAN\, Kraków)\, E
wa Juszyńska-Gałązka (Institute of Nuclear Physics PAN\, Kraków)\n\n4-
n-heptyl-2’\,3’-difluoro-4’-undecyloxybiphenyl (4HFDB) and 4-n-hepty
l-2’\,3’-difluoro-4’-nonyloxybiphenyl (4HFNB) are liquid crystalline
compounds of chemical formula C7H15-C6H4-C6H2F2-O-C11H23 and C7H15-C6H4-C
6H2F2-O-C9H19\, respectively\, i.e. they differ in the length of the alkyl
chain. The latter appears to be strongly affecting their physicochemical
properties. The crystal phase\, when heated\, melts to isotropic liquid at
315 K for 4HFDB and 307 K for 4HFNB. Upon cooling\, we identify the follo
wing sequences (via DSC scans): IL (309.5 K) SmA for 4HFDB\, and IL (303.9
K) N (302.5 K) SmA for 4HFNB. More detailed information on the changes in
structure and dynamics of 4HFDB and 4HFNB at the phase transitions comes
from X-Ray diffraction\, polarizing microscopy and Fourier absorption infr
ared spectroscopy. Both compounds crystallize in orthorhombic structures (
space group Pmmm) at RT. The a lattice parameter\, closely related to the
molecule length\, was 29.9(1) Å for 4HFDB and 27.4(2) Å for 4HFNB. Both
liquid mesogens are glass-formers and the glass transition temperature was
observed about 210 K and 230 K for 4HFDB and 4HFNB\, respectively. The vi
bration C-F mode is not an easy task to analyze due to a strong influence
of other vibrations. Moreover\, substitution of original hydrogens with fl
uorine causes a significant shift of bands towards higher frequencies. In
order to interpret the experimental results of dynamics\, calculations wer
e carried out using Mopac and Dmol3 contained in the Materials Studio pack
age.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1022/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1022/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Data Analysis: Is it Science or Art ?
DTSTART:20150710T100000Z
DTEND:20150710T103000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1023@indico.ifj.edu.pl
DESCRIPTION:Speakers: Joachim Wuttke (Forschungszentrum Jülich)\n\nIn som
e fields of research\, data analysis is routine\, either relying on the fo
rmal apparatus of hypothesis testing\, or resulting in rock-solid conclusi
ons that convince without further ado. \nIn other fields\, however\, inclu
ding several neutron scattering techniques\, data analysis appears to be m
ore an art than exact science\, with fit quality to be visually assessed b
y the experienced eyes\, and conclusions formulated in purposefully vague
language. \n\nThe generalizations proposed in this talk will be illustrate
d with examples from my own research in fields as diverse as liquid dynami
cs (experiments supporting mode-coupling theory and refuting the purported
fragile-to-strong transition of confined water)\, surface science (develo
pment of simulation software for grazing-incidence small-angle scattering)
\, and sociology (critical reanalysis of the student performance study PIS
A).\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1023/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1023/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Strategies towards cyanide-based multifunctional molecular materia
ls
DTSTART:20150707T084000Z
DTEND:20150707T090000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1024@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagiell
onian University\, Kraków)\n\nOne of the huge advantages of molecule-base
d magnets over the conventional magnetic solids is their “structural pla
sticity” – the ability to undergo structural and magnetic changes/tran
sitions on slight modifications by using appropriate stimuli: temperature\
, pressure\, guest molecules\, electromagnetic radiation and so on. \nIn c
ase of cyanide-based magnetic solids the removal/uptake of guest molecules
can lead to the reversible formation/cleavage of molecular CN-bridges and
the concomitant changes in their magnetic behavior. Moreover\, if spin-cr
ossover-capable ions are involved\, Light-Induced Excited Spin State Trapp
ing and the related photomagnetic effects can be expected. Additionally\,
pressurizing the spin-crossover capable compound influences the spin trans
ition.\nFollowing the above outlined strategies we have successfully engin
eered and characterized several coordination frameworks showing solvent/li
gand-induced structural changes followed by significant switching of their
magnetic ordering temperature Tc [1-3]. We have also managed to observe v
ery interesting magnetic and photomagnetic properties of cyanide-based mag
netic solids in response to pressure [4\,5]. The most interesting one is t
he pressure-induced photomagnetic effect in {[FeII(pyrazole)4]2[NbIV(CN)8]
.4H2O}n recorded for the first time ever [5].\n\nReferences\n\n[1] Pinkowi
cz\, D.\; Podgajny\, R.\; Bałanda\, M.\; Makarewicz\, M.\; Gaweł\, B.\;
Łasocha\, W.\; Sieklucka\, B. Inorg. Chem. 2008\, 47\, 9745-9747.\n[2] Pi
nkowicz\, D.\; Podgajny\, R.\; Nitek\, W.\; Rams\, M.\; Majcher\, A. M.\;
Nuida\, T.\; Ohkoshi\, S.\; Sieklucka\, B. Chem. Mater. 2011\, 23\, 21-31.
\n[3] Pinkowicz\, D.\; Podgajny\, R.\; Gaweł\, G.\; Nitek\, W.\; Łasocha
\, W.\; Oszajca\, M.\; Czapla\, M.\; Makarewicz\, M.\; Bałanda\, M.\; Sie
klucka\, B. Angew. Chem. Int. Ed. 2011\, 50\, 3973-3977.\n[4] Pinkowicz\,
D.\; Kurpiewska K.\; Lewiński\, K.\; Bałanda M.\; Mihalik M.\; Zentkova\
, M.\; Sieklucka\, B. CrystEngComm. 2012\, 14\, 5224-5229.\n[5] Pinkowicz\
, D.\; Rams\, M.\; Mišek\, M.\; Kamenev\, K. V.\; Tomkowiak\, H.\; Katrus
iak\, A.\; Sieklucka\, B. submitted.\n\nhttps://indico.ifj.edu.pl/event/70
/contributions/1024/
LOCATION:Flora Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1024/
END:VEVENT
BEGIN:VEVENT
SUMMARY:New coordination polymer based on [Ni(cyclam)]2+ and oc
tacyanoniobate(IV)
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1026@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Beata Nowicka (Faculty of Chemistry\, Jagiellon
ian University\, Kraków)\, Mateusz Reczyński (Faculty of Chemistry\, Jag
iellonian University\, Kraków)\, Michał Heczko (Faculty of Chemistry\, J
agiellonian University\, Kraków)\n\nThe combination of [Ni(cyclam)]2+ (cy
clam = 1\,4\,8\,11-tetraazacyclotetradecane) with [Nb(CN)8]4- has been des
cribed earlier [1]. The compound exhibits 3D diamond-like network topology
and long range magnetic ordering\, whose characteristics depend on the am
ount of crystallisation water. The experiments has shown that after dehydr
ation the original phase cannot be reinstated completely.\n We have obt
ained a new coordination polymer {Li2[Ni(cyclam)]3[Nb(CN)8]2∙nH2O}n\, in
the spontaneous reaction of the above mentioned building blocks in the sa
turated lithium chloride solution. The compound shows 2D honeycomb-like to
pology\, similarly to {[Ni(cyclam)]3[WV(CN)8]2∙solv}n network [2]. The p
orous structure is characterized by channels running across the layers\, f
illed with water molecules and lithium cations\, which neutralize the nega
tive charge of the layers. The research shows that there are three phases
with different amount of crystallisation water similarly to the previously
described \n3D network. It also influences the magnetic properties. Fully
hydrated sample kept under solvent shows ferrimagnetic ordering with Tc =
7 K. The phase dried in air is a metamagnet with critical field around 1
kOe\, while the phase dehydrated under vacuum shows antiferromagnetic char
acteristics. Magnetic measurements show that the dehydration process is re
versible.\n\nReferences\n\n[1] Beata Nowicka\, Maria Bałanda\, Mateusz Re
czyński\, Anna M. Majcher\, Marcin Kozieł\, Wojciech Nitek\, Wiesław Ł
asocha\, Barbara Sieklucka\, Dalton Trans. 2013\, 42\, 2616 - 2621.\n[2] B
eata Nowicka\, Michał Rams\, Katarzyna Stadnicka\, Barbara Sieklucka\, In
org. Chem. 2007\, 46\, 8123 - 8125.\n\nhttps://indico.ifj.edu.pl/event/70/
contributions/1026/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1026/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Low temperature magnetic properties of bi-layer Mott insulators
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1027@indico.ifj.edu.pl
DESCRIPTION:Speakers: Reizo Kato (RIKEN\, Condensed Molecular Materials La
boratory)\, Tetsuro Kusamoto (Department of Chemistry\, Graduate School of
Science\, University of Tokyo)\, Ysuhiro Nakazawa (Department of Chemistr
y\, Graduate School of Science\, Osaka University)\, Satoshi Yamashita (De
partment of Chemistry\, Graduate School of Science\, Osaka University)\, R
yo Yoshimoto (Department of Chemistry\, Graduate School of Science\, Osaka
University)\n\nIn this work\, we measured heat capacities of bi-layer Mot
t insulators X[Ni(dmit)2]2 (X = Et-4BrT\, Et-2I-5BrP\, Et-2\,5-DBrP) under
magnetic fields in order to clarify the low temperature magnetic properti
es. X[Ni(dmit)2]2 forms low dimensional electronic structure based on the
segregated stacking of Ni(dmit)2 molecules and their counter cations. In t
hese compounds\, Ni(dmit)2 molecules form dimerized structure. Since X is
monovalent cation\, each dimer has one electron. When the band width W is
not so large compared to on site Coulomb repulsion U\, this system behaves
as a Mott insulator which is known to antiferromagnetic system with S = 1
/2. In Mott insulating compounds (Et-4BrT)[Ni(dmit)2]2\, (Et-2I-5BrP)[Ni(d
mit)2]2 and (Et-2\,5-DBrP) [Ni(dmit)2]2\, two types of Mott insulating lay
ers are realized due to asymmetric structure and stacking of cations. Due
to the existence of alternative layer\, these compounds are called as bi-l
ayer Mott insulators. In these compounds\, any long range ordering was not
detected down to 2 K and the competition of ferromagnetic and anti-ferrom
agnetic behavior was observed in magnetic susceptibility. We performed hea
t capacity measurements and detected a peak structure around 1 K with larg
e transition entropy (20~40% of Rln2) in all compounds. We consider that t
he existence of peak structure and large transition entropy is a common fe
ature of bi-layer Mott insulators. We also observed sensitive magnetic fie
ld dependence which indicates bulk ferromagnetic behavior in (Et-4BrT)[Ni(
dmit)2]2. In contrast to (Et-4BrT)[Ni(dmit)2]2\, (Et-2I-5BrP)[Ni(dmit)2]2
and (Et-2\,5-DBrP)[N(dmit)2]2 showed small magnetic field dependence which
indicates paramagnetic like and anti-ferromagnetic behavior\, respectivel
y. In terms of the asymmetry of cation structure\, the magnetic behavior c
hanges from anti-ferromagnetic to ferromagnetic behavior with an increase
in the asymmetry of cation structure. We speculate that the magnetic state
and the effect based on asymmetric cations are strongly coupled in bi-lay
er Mott insulators.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/10
27/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1027/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The low temperature electronic state of an organic superconductor
β”-(BEDT-TTF)4[(H3O)Ga(C2O4
)3]PhNO2 with strong charge fluctuations
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1028@indico.ifj.edu.pl
DESCRIPTION:Speakers: Satoshi Yamashita (Department of Chemistry\, Graduat
e School of Science\, Osaka University)\, Yasuhiro Nakazawa (Department of
Chemistry\, Graduate School of Science\, Osaka University)\, Horoki Akuts
u (Department of Chemistry\, Graduate School of Science\, Osaka University
)\, Shusaku Imajo (Department of Chemistry\, Graduate School of Science\,
Osaka University)\n\nUnconventional superconductivity has been a challengi
ng subject to study in condensed matter science. The pairing of electrons
in conventional superconductors can be explained by a weak attractive forc
e by means of the electron-phonon coupling known as the BCS mechanism. How
ever the mechanisms of many unconventional superconductors are still open
questions. In this study\, we investigated an organic superconductive salt
β”-(BEDT-TTF)4[(H3O)Ga(C2O4)3]PhNO2\, which is considered a candidate
of unconventional superconductors. This salt is 1/4 filling salt and shoul
d be metal from the viewpoint of the band filling. However the effective i
nter-site Coulomb repulsion V works to make CO state because of strong ele
ctron correlation. In the electronic phase diagram of β”-type salts\, t
he superconductive phase is located between the charge ordered (CO) phase
and normal metallic (M) phase. The superconductivity is considered to rela
te to the degree of freedom of charge. \n In this study\, we measured temp
erature and magnetic field dependence of heat capacity of this salt by sin
gle crystal samples for elucidation of the relationship between supercondu
ctivity and the charge disproportionation.\nAs a result\, we detected thre
e thermodynamic anomalies in the temperature range of 7 K - 12 K. The high
est temperature anomaly is CO anomaly since it does not show any magnetic
field dependence. The other two are probably related to superconductivity.
Below 2 K\, temperature dependence of the heat capacity can be well fitte
d by an equation βT3+γT-bTln(T)+aT2. The contribution of electronic heat
capacity gives complicated behaviour including glassy terms and fluctuati
on terms. These unique features indicate that this β” type superconduct
or have possibilities of charge fluctuation mediated superconductivity.\n\
nhttps://indico.ifj.edu.pl/event/70/contributions/1028/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1028/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Self-Healing Abilities of Composites Consisting of Polymer-Brush-A
fforded Silica Particles and Photoresponsive Liquid Crystals
DTSTART:20150709T103000Z
DTEND:20150709T105000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1033@indico.ifj.edu.pl
DESCRIPTION:Speakers: Takahiro Yamamoto (Research Institute for Sustainabl
e Chemistry\, National Institute of Advanced Industrial Science and Techno
logy (AIST))\, Kohji Ohno (Institute for Chemical Research\, Kyoto Univers
ity)\, Hideyuki Kihara (Research Institute for Sustainable Chemistry\, Nat
ional Institute of Advanced Industrial Science and Technology (AIST))\, Yu
ki Kawata (Department of Chemistry\, University of Tsukuba \; Research Ins
titute for Sustainable Chemistry\, National Institute of Advanced Industri
al Science and Technology (AIST))\n\nSelf-healing materials are expected t
o extend the lifetimes of a variety of products. Recently\, we have develo
ped a self-healing material using a particle/liquid-crystal (LC) composite
gel containing an azobenzene compound. The particle/azo-doped LC composit
e gel showed the gel–sol transition by the trans–cis photoisomerizatio
n of an azo dopant. The photoinduced gel–sol transition could be success
fully applied to the light-assisted mending of surface cracks on the compo
site gel.1 However\, owing to their poor elastic nature\, surface dents ma
de on the composite gels could not be repaired. In this study\, we employe
d polymer-brush-afforded silica particles (P-SiPs) as particle components
of the composite gels to improve their elasticity. Then\, we investigated
mechanical and self-healing properties of P-SiP/LC composite gels.2\n \n
A P-SiP is a core-shell particle in which a core is a spherical sili
ca particle (diameter = 130 nm) and a shell consists of poly(methyl methac
rylate) chains densely grafted on the core.3 A composite using P-SiPs and
a nematic LC (4-pentyl-4’-cyanobiphenyl) became a self-supporting gel at
room temperature. A physical network structure formed by P-SiPs in LC mat
rix will be responsible for the solid-like nature of the composite. The su
rface dents produced on the composite have been spontaneously repaired aft
er removing the mechanical stress because of the rubbery nature of grafted
polymer chains of P-SiPs. In addition\, a P-SiP/LC composite containing a
small amount of an azobenzene compound (4-butyl-4’-methoxyazobenzene) e
xhibited a gel–sol transition by trans–cis photoisomerization of the a
zo dopant. Therefore\, the light-assisted mending of the surface cracks ha
s been achieved using the photoinduced gel–sol transition. We have succe
ssfully developed a material which can repair two types of damages (a surf
ace dent and a surface crack).\n\n This work was partly supported b
y JSPS KAKENHI Grant Number 25410217.\n\n\n(1) T. Yamamoto and M. Yoshida\
, Langmuir\, 2012\, 28\, 8463.\n\n(2) Y. Kawata\, T. Yamamoto\, H. Kihara\
, and K. Ohno\, ACS Appl. Mater. Interfaces\, 2015\, 7\, 4185.\n\n(3) K. O
hno\, T. Morinaga\, S. Takeno\, Y. Tsujii\, and T. Fukuda\, Macromolecules
\, 2006\, 39\, 1245.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1
033/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/1033/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Study of the reorganization of the molecules during smectic A –
smectic C phase transition
DTSTART:20150707T153500Z
DTEND:20150707T155000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1029@indico.ifj.edu.pl
DESCRIPTION:Speakers: Maria Massalska-Arodź (Institute of Nuclear Physics
PAN\, Kraków)\, Ewa Juszyńska-Gałązka (Institute of Nuclear Physics P
AN\, Kraków)\, Zbigniew Galewski (Faculty of Chemistry\, University of Wr
ocław)\, Natalia Osiecka (Institute of Nuclear Physics PAN\, Kraków)\n\n
4-hexyloxybenzylidene-4’-dodecyloxyaniline (6BA12) belongs to the 4-hexy
loxybenzylidene-4’-alkyloxyanilines homologous series. All derivatives o
f 6BAn (n=1-12) homologous series exhibit liquid crystal phases. Arrangeme
nt of molecules in phase and number of phases increase with the length of
alkyloxy tail [1]. During cooling this substance several liquid crystal ph
ases are observed: nematic (N)\, smectic A (SmA)\, smectic C (SmC) and sme
ctic I (SmI).\n The aim of this presentation is to describe the dynamic
and the structure in each phase which exhibit 6BA12 between 115°C and 25
°C. Many complementary methods were used: polarized microscope observatio
n\, differential scanning calorimetry (DSC)\, Fourier transform infrared s
pectroscopy (FT-IR)\, X-Ray diffraction (XRD)\, density functional theory
(DFT) calculation and the two dimensional correlation analysis of the IR s
pectra. \n Nature of orientation of molecules in the smectic tilt phas
es has been an issue of discussion for several years [2]. They attract sig
nificant attention because of the application of ferro- and antiferroelect
ric smectics C* in the fast electrooptic displays and because of the rich
variety of different phases with unusual three dimensional structure [3].
Tilting transition are also observed in other soft-matter system including
smectic elastomers [4]\, lyotropic lamellar phases and Langmuir-Blodgett
films [5]. We explored the problem of reorganization of molecules distribu
tion for several liquid crystal phase transitions. The main focus is on th
e SmA-SmC and SmC-SmI transitions found in 6BA12. Two dimensional correlat
ion analysis of the FT-IR spectra is used to check change of the orientati
on of molecules during phase transitions [6].\n \nReferences\n[1] J. Go
dzwon\, M. J. Sienkowska\, Z. Galewski\; Liq. Cryst. 34 (2007) 911.\n[2]
M. V. Gorkunov\, M. A. Osipov\; J. Phys. A: Math. Theor. 41 (2008) 295001.
\n[3] J. P. F. Lagerwall\, F. Giesselmann\; Chem. Phys. Chem. 7 (2006) 20.
\n[4] W. Lehmann\, H. Skupin\, C. Tolksdorf\, E. Gebhard\, R. Zentel\, P.
Kruger\, M. Losche\, F. Kremer\; Nature 410 (2001) 447.\n[5] V. M. Kaganer
\, H. Mowald\, P. Dutta\; Rev. Mod. Phys. 71 (1999) 779.\n[6] N. Osiecka\,
M. A. Czarnecki\, Z. Galewski\, M. Massalska-Arodź\; J. Phys. Chem B 117
(2013) 10612.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1029/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1029/
END:VEVENT
BEGIN:VEVENT
SUMMARY:New perspectives in oligonuclear cyanido-bridged systems
DTSTART:20150707T081000Z
DTEND:20150707T084000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1030@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Anna Hoczek (Faculty of Chemistry\, Jagiellonia
n University\, Kraków)\, Wojciech Nogaś (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Szymon Chorąży (Department of Chemistry\, T
he University of Tokyo)\, Robert Podgajny (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\n\nThe low dimensional cyanido-bridged species
gained an extremely strong interest due to the diversity of structural coo
rdination forms and numerous properties\, prospective for future applicati
ons in data storage and processing. This could be accessible through the c
ontrolled manipulation on structural\, electronic and magnetic state of t
he related soft materials. Several important underlying prerequisites\, su
ch as magnetic coupling and magnetic anisotropy\, spin-crossover (SCO) cha
rge-transfer induced spin transition (CTIST) and light-induced excited spi
n state trapping (LIESST)\, linkage isomerism\, guest dependent behaviour
and other were found and examined [1-6]. \nAlong this line\, this presenta
tion will be focused on the ligand-ion-solvent interplay\, offering the no
vel low dimensional Co(II\,III)-CN-W(V\,IV) and Fe(II\,III)-CN-W(V\,IV) an
d Mn(II)-CN-W(V) species revealing 3-nuclear\, 5-nuclear and 15-nuclear st
ructures as well as 1-D structures. The dimensionality and topology of the
presented selection is not a simple case of blocking ligands. Moreover\,
the obtained structure-property combinations were found to correlate with
the specific synthetic conditions used. As a consequence\, we enrich the
“magnetic offer” born by these type of compounds with: (i) combination
of magnetic sponge like behaviour and chiral resolution\, (ii) solid solu
tions with composition dependent spin phase transitions\, (iii) robust por
ous supramolecular networks and (iv) ligand directed organization of high
spin clusters for slow magnetic relaxation and magneto-caloric effect. \n\
nReferences\n\n[1] K. E. Funck\, M. G. Hilfiger\; C. P. Berlinguette\, M.
Shatruk\, W. Wernsdorfer\, K. R. Dunbar\, Inorg. Chem. 2009\, 48\, 3438
–3452.\n[2] F. Karadas\, C. Avendano\, M. G. Hilfiger\, A. V. Prosvirin\
, K. R. Dunbar\, Dalton Trans.\, 2010\, 39\, 4968–4977.\n[3] Y.-Z. Zhang
\, U. P. Mallik\, R. Clerac\, N. P. Rath\, S. M. Holmes\, Chem. Commun.\,
2011\, 47\, 7194–7196.\n[4] A. Mondal\, L.-M. Chamoreau\, Y. Li\, Y. Jou
rnaux\, M. Seuleiman and R. Lescouëzec\, Chem. – Eur. J.\, 2013\, 19\,
7682–7685.\n[5] B. Nowicka\, T. Korzeniak\, O. Stefańczyk\, D. Pinkowic
z\, S. Chorąży\, R. Podgajny\, B. Sieklucka\, Coord. Chem. Rev.\, 2012\,
256\, 1946–1971.\n[6] D. Pinkowicz\, R. Podgajny\, B. Nowicka\, S. Chor
ąży\, M. Reczyński\, B. Sieklucka\, Inorg. Chem. Front.\, 2015\, 2\, 10
-27.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1030/
LOCATION:Flora Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1030/
END:VEVENT
BEGIN:VEVENT
SUMMARY:The frontiers in modeling colloidal nanoparticles: challenges and
opportunities
DTSTART:20150709T133000Z
DTEND:20150709T140000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1031@indico.ifj.edu.pl
DESCRIPTION:Speakers: Nuria Lopez (Institute of Chemical Research of Catal
onia)\n\nModelling surfactant coated nanoparticles constitutes a great cha
llenge as the properties of these materials in the nanoscale completely di
ffer from the bulk counterparts. In this lecture I will provide some of th
e hints that make possible the investigation of properties like shape cont
rol and catalytic activity.[1-3]\n\nReferences\n[1] Almora-Barrios et al.
NanoLett.2014\, 14\, 871\n[2] Vile et al. Chem. Eur. J. 2014\, 20\, 5926\n
[3] Barmparis et al. Belstein J. of Nanotec. 2015\, 6\, 631\n\nhttps://ind
ico.ifj.edu.pl/event/70/contributions/1031/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1031/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Optical activity and switchable luminescence in octacyanido-based
bimetallic layered magnets
DTSTART:20150708T105000Z
DTEND:20150708T110500Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1032@indico.ifj.edu.pl
DESCRIPTION:Speakers: Shin-ichi Ohkoshi (Department of Chemistry\, The Uni
versity of Tokyo)\, Barbara Sieklucka (Faculty of Chemistry\, Jagiellonian
University\, Kraków)\, Michał Rams (Institute of Physics\, Jagiellonian
University\, Kraków)\, Edward Gorlich (Institute of Physics\, Jagielloni
an University\, Kraków)\, Wojciech Nitek (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Koji Nakabayashi (Department of Chemistry\, T
he University of Tokyo)\, Robert Podgajny (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Szymon Chorąży (Department of Chemistry\, T
he University of Tokyo)\n\nMolecule-based magnets constructed of octacyani
dometallates and complexes of 3d/4f metal ions are now attracting a consid
erable attention as they reveal the wide range of magnetic phenomena incl
uding ferromagnetism\, metamagnetism\, charge transfer or spin transitions
\, and slow relaxation of magnetization.[1] The implementation of other ph
ysical functionalities\, including chirality\, luminescence\, ionic conduc
tivity\, microporosity\, or photoinduced phase transitions into magnetic o
ctacyanido-based material results in extraordinary cross-effects\, such a
s a magnetization-induced second harmonic generation\, or photoswitchable
second harmonic light\, occurring when chirality is combined with photoind
uced magnetic ordering.[2\,3]\nIn this context\, we focus on searching fo
r new synthetic pathways towards [M(CN)8]-bridged magnets with additional
optical functionalities\, which were found to be the most promising in the
interactions with magnetic phenomena.[3] Here\, we present two novel type
s of two-dimensional bimetallic cyanido-bridged networks combining magneti
c ordering with embedded optical functionalities: (a) chiral {[MnII(R-mpm)
2]2[NbIV(CN)8]}·4H2O and {[MnII(S-mpm)2]2[NbIV(CN)8]}·4H2O (mpm = α-met
hyl-2-pyridine-methanol) ferrimagnets with Tc = 23.5 K revealing natural o
ptical activity due to the chiral crystal structure\, and magnetic optical
acitivity in the presence of external magnetic field\, with the strong en
hancement in the magnetically ordered phase\,[4] and (b) {[TbIII(Box)2(dmf
)2][WV(CN)8]}⋅H2O (Box = bis(oxazoline)) ferrimagnets with Tc = 2.4 K ex
hibiting visible green to red luminescence switchable by excitation light.
[5]\n[1] B. Nowicka\, T. Korzeniak\, O. Stefanczyk\, D. Pinkowicz\, S. Cho
razy\, R. Podgajny and B. Sieklucka\, Coord. Chem. Rev. 2012\, 256\, 1946.
[2] S. Chorazy\, K. Nakabayashi\, K. Imoto\, J. Mlynarski\, B Sieklucka a
nd S. Ohkoshi\, J. Am. Chem. Soc. 2012\, 134\, 16151. [3] S. Ohkoshi\, S.
Takano\, K. Imoto\, M. Yoshikiyo\, A. Namai and H. Tokoro\, Nature Photoni
cs 2014\, 8\, 65. [4] S. Chorazy\, R. Podgajny\, W. Nitek\, T. Fic\, E. G
örlich\, M. Rams and B. Sieklucka\, Chem. Commun. 2013\, 49\, 6731. [5] S
. Chorazy\, K. Nakabayashi\, S. Ohkoshi and B. Sieklucka\, Chem. Mater. 20
14\, 26\, 4072.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1032/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1032/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Tuning of magnetic ordering temperatures of Mn2Nb 3D chiral molecu
lar magnet by pressure and guest molecules
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1041@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Wojciech Nitek (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagie
llonian University\, Kraków)\, Bernard Czarnecki (Faculty of Chemistry\,
Jagiellonian University\, Kraków)\n\nOver the recent years an intensive r
esearch provided examples of synthesis of heterometalic molecular material
s with paramagnetic [M(CN)8]n− (M = NbIV\, MoIV\,V\, WIV\,V) ions\, 3d m
etal ions and organic ligands. Such assemblies [1\,2] proves the great pot
ential for applications of cyano-bridged coordination networks and in the
future this could lead to obtaining room temperature octacyanometalate-bas
ed magnets tunable by light\, temperature\, pressure or/and solvent[1\,2].
Additionally with development of organic chemistry it is possible\, by in
corporating enantiopure ligands\, to obtain chiral coordination networks.
Co-existence of both magnetic and optical properties could give us a chanc
e to examine thoroughly physical phenomena like magneto-chiral dichroism a
nd magnetically induced second harmonic generation. Furthermore magnetic p
roperties can be tuned by pressure-induced structural changes that cause
the alteration of magnetic interaction between metal centres[1] leading to
novel molecular switches.\nHere we present 3D networks of {[MnII(S/R/rac-
1\,2-diaminopropane)2]2[NbIV(CN)8]•3H2O}n and its dependence of the magn
etic ordering temperature on pressure and uptake/removal of guest molecule
s. The collected information allows to discuss the influence of the coordi
nation skeleton on physical properties of the compound.\nReferences:\n[1]
Fitta M.\, Bałanda M.\, Pełka R.\, Konieczny P.\, Pinkowicz D.\, Siekluc
ka B.\, Journal of Physics Condensed Matter\, 2013\, 25 \,49\n[2] Pinkowic
z D.\, Podgajny R.\, Gaweł B.\, Nitek W.\, Łasocha W.\, Oszajca M.\, Cza
pla M.\, Makarewicz M.\, Bałanda M.\, Sieklucka B.\, Angew. Chem. Int. E
d.\, 2011\, 50\, 3973-3977.\n\nhttps://indico.ifj.edu.pl/event/70/contribu
tions/1041/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1041/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Thermal and Photoresponsive Properties of Composite Gels Consistin
g of Polymer-Brush-Afforded Silica Particles and Azobenzene-Containing Liq
uid Crystals
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1034@indico.ifj.edu.pl
DESCRIPTION:Speakers: Kohji Ohno (Institute for Chemical Research\, Kyoto
University)\, Hideyuki Kihara (Research Institute for Sustainable Chemistr
y\, National Institute of Advanced Industrial Science and Technology (AIST
))\, Takahiro Yamamoto (Research Institute for Sustainable Chemistry\, Nat
ional Institute of Advanced Industrial Science and Technology (AIST))\, Ka
zuya SAITO (Department of Chemistry\, University of Tsukuba)\, Yasuhisa Ya
mamura (Department of Chemistry\, University of Tsukuba)\, Yuki Kawata (De
partment of Chemistry\, University of Tsukuba \; Research Institute for Su
stainable Chemistry\, National Institute of Advanced Industrial Science an
d Technology (AIST))\n\nA liquid-crystalline physical gel formed by the fi
brous aggregation of gelators in liquid crystals (LCs) have been recognize
d as a new class of soft materials and extensively investigated.1 A partic
le/LC composite gel is a kind of liquid-crystalline physical gels in which
particles act as the gelator. Recently\, we have reported the viscoelasti
c properties and photoinduced gel–sol transition of particle/LC composit
e gels containing an azobenzene compound. Then\, we have found that the ph
otoinduced gel–sol transition is useful for the photochemical healing of
surface cracks on the composite gels.2\,3 However\, the mechanical proper
ties of the particle/LC composite gels are not enough for practical uses.
In this study\, we have therefore attempted to improve the mechanical prop
erties of the composite gels by introducing polymer components into partic
le/LC composites. For this purpose\, we have employed polymer-brush-afford
ed silica particles (P-SiPs) whose surface is chemically modified with pol
ymer chains.4 \n\n A P-SiP/LC composite became a self-standing gel
and showed the storage elastic modulus over 104 Pa at room temperature\, w
hich was approximately ten times larger than that of the particle/LC compo
site gels without grafted polymer chains on particles. Interestingly\, the
P-SiP/LC composite gels exhibited a transition between hard gel and soft
gel\, in addition to a usual gel–sol transition. Optical microscope obse
rvations and thermal analyses revealed that the former transition was deri
ved from the glass–rubber transition of the grafted polymer chains where
as the latter was caused by the deformation of the inner network structure
consisting of P-SiPs. Furthermore\, we have also investigated the photore
sponsive properties of the P-SiP/LC composite gels doped with an azobenze
ne compound. \n \n This work was partly supported by JSPS KAKENHI G
rant Number 25410217.\n\n\n(1) T. Kato\, Y. Hirai\, S. Nakaso\, and M. Mor
iyama\, Chem. Soc. Rev.\, 2007\, 36\, 1857.\n\n(2) T. Yamamoto and M. Yosh
ida\, Langmuir\, 2012\, 28\, 8463.\n\n(3) Y. Kawata\, T. Yamamoto\, H. Kih
ara\, and K. Ohno\, ACS Appl. Mater. Interfaces\, 2015\, 7\, 4185.\n\n(4)
K. Ohno\, T. Morinaga\, S. Takeno\, Y. Tsujii\, and T. Fukuda\, Macromolec
ules\, 2006\, 39\, 1245.\n\nhttps://indico.ifj.edu.pl/event/70/contributio
ns/1034/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1034/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Impact of functionalizing organic molecules on properties of magne
tic nanoparticles
DTSTART:20150707T104000Z
DTEND:20150707T111000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1035@indico.ifj.edu.pl
DESCRIPTION:Speakers: Phuc Nguyen Xuan (Institute of Materials Science\, V
AST\, Hanoi)\n\nMagnetic nanoparticles (MNPs) have recently attracted much
attention for both basic research and application interests. The superpa
ramagnetic behavior of MNP when particle diameter becomes smaller than a f
ew tens nanometers was known yet more than 60 years ago and is a prime pro
perty concern in almost all the reports on MNPs today. In applications\, t
he particles need to be functionalized to protect them from oxidation and
to make them compatible to the environment. In many cases\, especially in
biomedicine\, the functionalizing materials used are those of organic mole
cules. Many applications demand the MNP to possess high magnetization. How
ever\, the fact that magnetic moment of as-synthesized MNP is reduced from
the bulk form value when decreasing particle diameter was realized yet in
1971 by Coey\, which is explained to due to the so called spin canting of
the outermost layer. The reports on effect of functionalization of MNP by
nonmagnetic materials are not coincide with each other although in most o
f the cases it gives a further reduction of magnetization from that of as-
synthesized materials. A very few publications reporting on the improvemen
t of magnetic moment by functionalization have\, from one side\, made a ho
pe for application researchers\, and on the other side\, raised an interes
ting topic for basic research to seek for origin of the effect. \nThe pu
rpose of this talk is to address the question how organic molecules (OM) c
an influence the magnetic properties of MNP in general and magnetization i
n particular. After introducing various methods used for synthesis and dif
ferent organic materials applied for functionalization of MNP\, typical si
ngle and multi-core functionalized structures will be reviewed. The MNPs c
onfinement will be introduced as via chemical and physical type regarding
the nature of their interaction with OM. Role of the anchoring group will
be discussed as to create chemical bonding on the MNP surface\, whose the
impact depends not only on the type of characteristic molecule groups but
also on the protocol of the ligand exchange procedure. As for multi-core c
omposite structures\, examples will be overviewed for both small molecule
and amphiphilic copolymers. Aside the magnetization\, behavior of other ma
gnetic properties such as anisotropy\, interparticle interaction or proton
relaxibility are also discussed. Finally\, our preliminary results on imp
rovement of magnetic performance in Fe3O4 nanoparticles functionalized by
PLA-PEG will be presented.\n\nReferences\n\n1. Sylvie Begin-Colin and Delp
hine Felder-Flesch\, Chapter 6 in Magnetic nanoparticles: From fabrication
to Clinical application\, N.T.K. Thanh ed.\, CRC 2012.\n2. J.M.D.Coey\, P
hys. Rev. Lett. 27 (17) (1971) pp 1140-1142.\n3. Byeong-Su Kim\, Jiao-Ming
Qiu\, Jin-Ping Wang\, T. Andrew Taton\, Nanoletters 2005 Vol. 5\, No. 10\
, 1987-1991.\n4. C. Blanco-Andujar\, D. Ortega\, P. Southern\, Q.A. Pankhu
rst\, N.T.K. Thanh\, Nanoscale\, 2015\, 7\, 1768-1775.\n\nhttps://indico.i
fj.edu.pl/event/70/contributions/1035/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1035/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Structural flexibility of CN-bridged magnetic networks based on pl
anar cyclam complexes
DTSTART:20150707T100000Z
DTEND:20150707T102000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1036@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Mateusz Reczyński (Faculty of Chemistry\, Jagi
ellonian University\, Kraków)\, Beata Nowicka (Faculty of Chemistry\, Jag
iellonian University\, Kraków)\n\nMaterials that respond to external stim
uli in form of temperature\, pressure\, light or presence of guest molecul
es by changes in magnetic\, optical or electrical properties can act as mo
lecular switches and sensors. Molecular assemblies composed of metal ions
and bridging ligands\, which show sensitivity to external stimuli are ofte
n characterised by the flexibility of their coordination skeleton\, which
permits reversible structural changes. The design of structurally dynamic
materials is a challenging task\, since many factors from the coordination
polyhedra and bridge geometry to subtle intermolecular interactions must
be taken into account. \n Tetradentate macrocyclic ligand 1\,4\,8\,11-t
eraazacyclotertadecane (cyclam) has several features that make it a good b
uilding block for the construction of non-rigid coordination networks. It
is one of the smallest ligands that can ensure planar coordination around
the central atom\, thus producing linear cationic connectors\, which are b
endable and take up relatively small space\, leaving gaps for guest molecu
les in the structure. Moreover\, aliphatic fragments of the macrocyclic ri
ng afford only weak intermolecular interactions\, which do not hinder dist
ortions of the structure. We have characterised several cyano-bridged netw
orks based on cationic cyclam complexes with various polycyanometallates [
1]. They present different dimensionalities from 1D to 3D\, but all of the
m uniformly show structural transformations and modification of magnetic p
roperties in response to de-solvation\, sorption of guest molecules or tem
perature changes.\n\n[1] B. Nowicka\, M. Rams\, K. Stadnicka\, B. Siekluck
a\; Inorg. Chem. 2007\, 46\, 8123\; B. Nowicka\, M. Bałanda\, B. Gaweł\,
G. Ćwiak\, A. Budziak\, W. Łasocha\, B. Sieklucka\, Dalton Trans.\, 20
11\, 40\, 3067\; B. Nowicka\, M. Bałanda\, M. Reczyński\, A. M. Majcher\
, M. Kozieł\, W. Nitek\, W. Łasocha\, B. Sieklucka\, Dalton Trans. 2013\
, 42\, 2616\; B. Nowicka\, M. Reczyński\, M. Rams\, W. Nitek\, M. Kozieł
\, B. Sieklucka\, CrystEngComm\, 2015\, DOI: 10.1039/C5CE00287G.\n\nhttps:
//indico.ifj.edu.pl/event/70/contributions/1036/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/1036/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Cyanide-bridged MnII-NbIV ferrimagnetic coor
dination chains with ferromagnetic ordering
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1037@indico.ifj.edu.pl
DESCRIPTION:Speakers: Barbara Sieklucka (Faculty of Chemistry\, Jagielloni
an University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagiell
onian University\, Kraków)\, Michał Magott (Faculty of Chemistry\, Jagie
llonian University\, Kraków)\n\nWe have synthesized two new coordination
chain compounds consisting of manganese(II)\, 2\,2'-bipyridyl and octacyan
oniobate(IV)\, both of them exhibiting ferromagnetic ordering. The first o
ne [MnII(bpy)(H2O)2]2[Nb(CN)8]•5H2O 1 is isostructural with the manganes
e-octacyanotungstate vertex-sharing squares chain already reported by Ohko
shi et al. [1]\, while the second one [MnII(bpy)(H2O)2][Mn(bpy)2][Nb(CN)8]
•4H2O 2 shows a topology that has not been observed yet and can be descr
ibed as a chain of perpendicularly laying squares. Both compounds exhibit
antiferromagnetic intrachain interactions within the NbIV-CN-MnII structur
al motifs typical for manganese-octacyanoniobate compounds\, but also long
-range ferromagnetic ordering (LRFO) below their critical temperatures (Tc
) of 7.0 and 5.3 K\, respectively\, which is quite unusual for one-dimensi
onal topology [2\,3\,4]. This can be explained only on the basis of signif
icant ferromagnetic interchain interactions\, which are assured by the int
erchain π-π contacts of the bipyridine rings and hydrogen bonds between
coordination and crystallization water molecules. Additionally\, although
both chains show great structural similarity\, a distinct difference in th
e octacyanoniobate(IV) geometry is observed\, which might have some impact
on the magnetic properties.\n\n[1] Noriaki Ozaki\, Ryo Yamada\, Koji Naka
bayashi\, Shin-ichi Ohkoshi\, Acta Crystallographica Section E\, 2011\, E
67\, m702-703 \n[2] Olivier Kahn\, Molecular Magnetism\, VCH\, Weinhei
m 1993 \n[3] Rabindranath Pradhan\, Cedric Desplanches\, Philippe Guio
nneau\, Jean-Pascal Sutter\, Inorganic Chemistry\, 2003\, 42\, 6607-6609
\n[4] Xiangyu Liu et al.\, Dalton Transactions\, 2014\, 43\, 15359\n\nht
tps://indico.ifj.edu.pl/event/70/contributions/1037/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1037/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Structural studies of 4-n-pentylphenyl-4’-n-heptyloxythiobenzoat
e (7OS5)
DTSTART:20150707T163000Z
DTEND:20150707T173000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1038@indico.ifj.edu.pl
DESCRIPTION:Speakers: Janusz Chruściel (Institute of Chemistry\, Siedlce
University of Natural Sciences and Humanities\, Siedlce\, Poland)\, Miros
ława D. Ossowska-Chruściel (Institute of Chemistry\, Siedlce University
of Natural Sciences and Humanities\, Siedlce\, Poland)\, Takashi Matsumoto
(Application Laboratories\, Rigaku Corporation\, Haijima\, Japan)\, Keigo
Nagao (Application Laboratories\, Rigaku Corporation\, Haijima\, Japan)\,
Maria Książek (Institute of Physics\, University of Silesia\, Katowice\
, Poland)\, Joachim Kusz (Institute of Physics\, University of Silesia\, K
atowice\, Poland)\, Monika Marzec (Institute of Physics\, Jagiellonian Uni
versity\, Kraków)\, Teresa Jaworska-Gołąb (Institute of Physics\, Jagie
llonian University\, Kraków)\, Aleksandra Deptuch (Institute of Physics\,
Jagiellonian University\, Kraków)\n\nCompounds from the homologous serie
s of 4-n-pentylphenyl-4’-n-alkiloxybenzoates CnH2n+1-O-C6H6-COS-C6H6-C5H
11\, denoted as nOS5\, known of creating liquid crystalline phases\, are t
he subject of our recent studies. Some results for crystalline and liquid
crystalline phases of 4-n-pentylphenyl-4’-n-heptyloxythiobenzoate (denot
ed as 7OS5)\, studied with differential scanning calorimetry (DSC)\, polar
ization microscopy (PM) and X-ray diffraction (XRD)\, will be presented.\n
\nDSC (DSC 8000 Perkin Elmer calorimeter\, 6 K/min.) and PM (Nikon Eclipse
LV100POL microscope\, 6 K/min.) measurements deliver information about th
e phase sequences at heating and cooling as well. 7OS5 occurs in two liqui
d crystalline phases and polymorphism in a crystalline phase is also obser
ved. In our DSC and PM measurements the following sequence of the phase tr
ansitions was observed: isotropic liquid → nematic → smectic C → cr
ystal 1 while cooling and crystal 1 → crystal 2 → crystal 3 → nemati
c → isotropic liquid upon heating. In the simultaneous XRD-DSC measureme
nts (SmartLab 9kW\, Rigaku\, CuKα\, 2 K/min.) only one crystal phase du
ring the first heating but two different crystal phases during the secon
d heating were visible and no smectic order was detected while cooling. Si
ngle crystal X-ray analysis (SuperNova\, Agilent Technologies\, CuKα\, 90
K) enabled us to solve the structure of 7OS5 in the crystalline phase. Th
e compound crystallizes in an orthorhombic system (space group Pca21) with
the cell parameters a= 54\,285(5) Å\, b= 5\,5843(3) Å\, c= 14\,8411(10)
Å.\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1038/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1038/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Control of the magnetic behaviour of cyanide-bridged MnII-NbIV coordination polymers by the introduction of supporting
ligands.
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1039@indico.ifj.edu.pl
DESCRIPTION:Speakers: Wojciech Nitek (Faculty of Chemistry\, Jagiellonian
University\, Kraków)\, Barbara Sieklucka (Faculty of Chemistry\, Jagiello
nian University\, Kraków)\, Dawid Pinkowicz (Faculty of Chemistry\, Jagie
llonian University\, Kraków)\, Gabriela Handzlik (Faculty of Chemistry\,
Jagiellonian University\, Kraków)\n\nIn our contribution we describe synt
heses\, single-crystal X-ray crystallographic structures and magnetic prop
erties of a new family of cyanide-bridged coordination polymers {(NH4)[(H2
O)MnII-(μ-L)-MnII(H2O)] [NbIV(CN)8].xH2O}n MnNbL with supporting ligands
L = cyanide\, formate\, acetate and propionate (x = 2 or 3).\nMnNbL stems
from a prototypical three-dimensional cyanide-bridged {[MnII(H2O)2]2[NbIV(
CN)8].4H2O}n MnNb compound [1] which shows ferrimagnetic behaviour with ma
gnetic ordering temperature Tc = 50 K. Each bridging CN- in MnNb connects
the MnII (d5 configuration\, S = 5/2) and NbIV (d1\, S = 1/2) metal centre
s and enables relatively strong antiferromagnetic exchange interactions JN
bMn within the NbIV-CN-MnII motif.\nWe have managed to introduce the extra
ligands that connect each two neighbouring MnII centres. The ligands were
introduced at the self-assembly stage. This was done by taking advantage
of the potential ‘cavities’ within the MnNb framework with the Mn-Mn d
istance of 6.147 Å. Additional bridging ligands change this distance to 5
.631 Å in case of cyanide or 6.253 Å for formate and tune in this way th
e structural properties of the -Nb-CN-Mn- framework. Moreover\, the bridgi
ng of the two MnII centres in MnNbL introduces additional magnetic interac
tion pathways with significant JMnMn¬ < 0. The new compounds show a uniqu
e magnetic behavior that might be related to magnetic frustration within a
triangle of three antiferromagnetically coupled magnetic centres: two MnI
I and one NbIV (Figure 1). These new octacyanometallate-based compounds wi
th additional bridging ligands demonstrate how chemists can exert consider
able control over the magnetic behaviour of molecular magnets.\n\nLiteratu
re:\n\n[1] J. M. Herrera\, P. Franz\, R. Podgajny\, M. Pilkington\, M. Bin
er\, S. Decurtins\, H. Stoeckli-Evans\, A. Neels\, R. Garde\, Y. Dromzee\,
M. Julve\, B. Sieklucka\, K. Hashimoto\, S. Ohkoshi\, M. Verdaguer\, C. R
. Chimie 11 (2008)\, 1192-1199\n\nhttps://indico.ifj.edu.pl/event/70/contr
ibutions/1039/
LOCATION:Olimpia Conference Room (Crown Piast Hotel)
URL:https://indico.ifj.edu.pl/event/70/contributions/1039/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Non-exponential relaxation: multiscale or nonlinear phenomenon?
DTSTART:20150710T105000Z
DTEND:20150710T111000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1040@indico.ifj.edu.pl
DESCRIPTION:Speakers: Dominika Kuźma (Institute of Nuclear Physics PAN\,
Kraków)\, Marcin Majka (Institute of Nuclear Physics PAN\, Kraków)\, Paw
eł Sobieszczyk (Institute of Nuclear Physics PAN\, Kraków)\, Piotr Zieli
ński (Institute of Nuclear Physics PAN\, Kraków)\n\nA distribution of re
laxation times results in relaxation describable by formulae more complex
than a single decreasing exponential function. A known example is the stre
tched exponential function\n\n u(t)=exp(-(t/τ)α)\, (1
) \n\n\nencountered in systems of very different nature starting from mech
anical strain\, electric and magnetic polarisation through electronic tra
nsitions to photoluminescence [1]. An official report of the National Aca
demy of Sciences of USA calls it a “universal function for slow processe
s” [2]. The function possesses its inverse Laplace transform that allows
one to treat it as a continuous linear combination of purely exponential
decays [3]. This kind of behaviour would be\, thus\, a signature of a set
of linear subsystems relaxing in all possible time scales. The correspondi
ng impulse response function (Green’s function)\, i.e. the response of
the system to the Dirac’s delta-like perturbation\, can be obtained in t
he following way \n\ng(t)=-∂u(t)⁄∂t=tα-1exp(-(t/τ)α)⁄τα.
(2) \n\nNoteworthy is a singularity at t = 0 for 0 < &alpha < 1.
An experiment providing both the relaxation function and the impulse resp
onse\, and verifying their relation (eq. (2))\, would be an evidence of a
multiscale origin of the phenomenon. On the other hand\, a non-exponentia
l decay may be described as a relaxation of a single anharmonic element wi
thout any recourse to different time scales. An example is a power-law de
cay u(t)=u0⁄(1+(δ-1)u0δ-1Γ(t-t0))1⁄(δ-1) resulting from the nonl
inear differential equation ∂u(t)⁄∂t=-Γuδ that may represent eith
er an anomalous viscous damping or an ordinary damped motion in an anharmo
nic potential. The amplitude-dependent response functions will be presente
d and the selected experimental data will be analyzed with both methods of
description. Criteria will be proposed to distinguish the multiscale and
nonlinear [4] mechanisms of non-exponential decay. A sonic effect of reve
rberation with continuous and discrete distribution of relaxation times wi
ll be used to demonstrate how the ordinary exponential and stretched expon
ential regimes affect the intelligibility of speech and music. \n\nRefere
nces\n\n[1] G. Dattoli\, K. Górska\, A. Horzela and K.A. Penson\, Phys. L
etts. A 378\, 2201 (2014) \n[2] W.F. Brinkman\, Physics through the 1990s\
, National Academy of Sciences\, Washington\, DC\, (1986)\n[3] see e.g. M.
N. Berberan-Santos\, E.N. Bodunov\, B. Valeur. Chemical Physics 315 (1)\,
171 (2005) \n[4] P. Zieliński\, Physica B Condensed Matter 316(1)\, 603
(2002)\n\nhttps://indico.ifj.edu.pl/event/70/contributions/1040/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1040/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Biology in four dimensions – the contribution from modern synchr
otrons
DTSTART:20150710T093000Z
DTEND:20150710T100000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1042@indico.ifj.edu.pl
DESCRIPTION:Speakers: Tomas Lundqvist (MAX IV Laboratory)\n\nIn biology on
e of the greatest scientific challenge comes from the need to study and mo
del extremely complex systems that are constantly evolving at different ti
me and length scales\, particularly in a way that is computationally affor
dable. Even just a slightly improved ability to predict the fait of biolog
ical processes in time and/or space would have a tremendous impact on many
areas of life science\, for example medicine. It is widely appreciated th
at modelling of biological processes\, as well as the underlying chemistry
\, has to build on robust and relevant experimental data. There is also a
need to constantly re-validate and revise these models as our understandin
g and the quality of the data improves. \n\nSynchrotrons are extremely ve
rsatile research tools that are particularly well suited to experimentally
study multi scale phenomena\, including the often complex and hierarchica
l structures found in living organisms. Recent developments in synchrotron
radiation technology\, detectors systems and computational methods/power
have allowed many of the existing experimental techniques to be refined an
d completely new ones to be developed. Together they now constitute a plat
form of different techniques\, from imaging to spectroscopy\, which can be
study biology at different length and time scales\n\nIn my talk I will us
e the synchrotrons MAX IV\, that is currently under construction outside L
und in Sweden\, and its emerging life science platform of techniques “MA
X IV LIFE” as an example how these next generation facilities can play a
leading role in increasing our understanding of complex biology. I will p
resent a range of techniques and associated scientific examples to illustr
ate how we will be able to study biology from the anatomic to the anatomic
length scale. \n\n\nThe MAX IV storage ring project
J. Synchrotron Rad.
\, 21\, 862-877 (2014)
P.F. Tavares\, S.C. Leemann\, M. Sjöström\, Å.
Andersson\n\nhttps://www.maxlab.lu.se/maxiv\n\nhttps://indico.ifj.edu.pl/
event/70/contributions/1042/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1042/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Vapor-deposited stable glasses of glycerol: evidence for stable gl
ass behavior and unusual transformation kinetics into the super-cooled liq
uid state
DTSTART:20150709T074000Z
DTEND:20150709T081000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1043@indico.ifj.edu.pl
DESCRIPTION:Speakers: Angeline Kasina (KU Leuven\, Department of Physics a
nd Astronomy)\, Michael Wübbenhorst (KU Leuven\, Department of Physics an
d Astronomy)\n\nPhysical vapor deposition (PVD) of super-cooled liquids in
to the glassy state yields occasionally glasses with extraordinary high pa
cking density resulting in an extremely low fictive temperature and high k
inetic stability [1]. While a couple of organic molecules have been proven
to form (ultra)stable glasses\, we have recently shown that PVD might als
o induce enhanced molecular order in H-bonded liquids like glycerol that e
ven persists after recovery of the liquid state on time scale up to 1010 t
imes the structural relaxation time τα [2].\nThis paper focuses on the
structural dynamics of ultra-thin films of glycerol prepared by organic mo
lecular beam deposition (OMBD) at temperature well below the glass transit
ion temperature (Tg). By using in-situ\, chip-based ac-calorimetry and bro
adband dielectric spectroscopy (BDS)\, and by monitoring the sample mass a
nd desorption phenomena by gravimetric (QCM) and pressure measurements\, w
e were able to investigate the specific heat and relaxation dynamics of gl
ycerol films in the glassy and liquid state systematically.\nSlowly deposi
ted films of glycerol revealed true stable glass behavior\, a feature that
was regarded as unlikely by other authors [3] based on dynamic fragility
considerations.\nEven more strikingly\, we found that devitrification of g
lassy glycerol proceeds in a two-step scenario: The majority of the (liqui
d) specific heat is recovered just above the bulk glass transition tempera
ture\, while the full recovery just occurs in a second transformation that
goes along with the disappearance of an excess contribution in the dielec
tric relaxation strength as reported in our previous work [2].\nAll findin
gs and their implications are discussed in the framework of the two-order
parameter model by Tanaka [4] and similar approaches.\n\nReferences\n\n[1]
S. F. Swallen\, K. L. Kearns\, M. K. Mapes\, Y. S. Kim\, R. J. McMahon\,
M. D. Ediger\, T. Wu\, L. Yu\, S. Satija\, Science 315\, 353 (2007).\n[2]
S. Capponi\, S. Napolitano\, M. Wübbenhorst\, Nature Communications 3\, 1
233\, 9 (2012).\n[3] Z. Chen\, A. Sepúlveda\, M. D. Ediger\, and R. Riche
rt\, “Dynamics of glass-forming liquids. XVI. Observation of ultrastable
glass transformation via dielectric spectroscopy”\, J. Chem. Phys. 138\
, 12A519\, (2013).\n[4] H. Shintani\, and H. Tanaka\, Frustration on the w
ay to crystallization in glass\, Nat. Phys. 2\, 200–206 (2006).\n\nhttps
://indico.ifj.edu.pl/event/70/contributions/1043/
LOCATION:Crown Piast Hotel
URL:https://indico.ifj.edu.pl/event/70/contributions/1043/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Liquid fragility as a important quantity describing the dynamic be
havior of glass-forming liquids in different thermodynamic conditions
DTSTART:20150709T152000Z
DTEND:20150709T155000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1044@indico.ifj.edu.pl
DESCRIPTION:Speakers: Andrzej Grzybowski (Institute of Physics\, Universit
y of Silesia)\, Marian Paluch (Institute of Physics\, University of Silesi
a)\n\nThe molecular studies of glass-forming liquids at elevated pressure
become now a standard practice in many laboratories all over the word [1].
The addition of pressure as an external thermodynamic variable open a new
perspective in understanding the fragility concept. The objective of this
presentation is to show that the relaxation dynamics of van der Waals liq
uids\, polymers and ionic liquids exhibit a uniform pattern of behavior wh
en it is analyzed in terms of fragility concept. Consequently\, general
rules defining the behavior of isobaric\, isothermal and isochoric fragili
ties are formulated for these three groups of materials [2]. Our findings
are consistent with the density scaling concept. Finally\, it is experimen
tally proved that both isothermal and isobaric fragilities are new isomorp
hic quantities in the power low density scaling regime.\n[1] G. Floudas\,
M. Paluch\, A. Grzybowski\, and K. Ngai\, Molecular Dynamics of Glass-Form
ing Systems: Effects of Pressure\, Chap. 2\, Springer-Verlag Berlin Heide
lberg 2011.\n[2] M. Paluch\, E. Masiewicz\, A. Grzybowski\, S. Pawlus\, J
. Pionteck\, and Z. Wojnarowska\, J. Chem. Phys. 141\, 134507 (2014).\n\nh
ttps://indico.ifj.edu.pl/event/70/contributions/1044/
LOCATION:Institute of Nuclear Physics PAN\, Kraków
URL:https://indico.ifj.edu.pl/event/70/contributions/1044/
END:VEVENT
BEGIN:VEVENT
SUMMARY:Magnetocaloric effect and relaxation of Mn12 molecular nanomagnet
incorporated into mesoporous silica: comparative study
DTSTART:20150707T183000Z
DTEND:20150707T200000Z
DTSTAMP:20240328T102000Z
UID:indico-contribution-1045@indico.ifj.edu.pl
DESCRIPTION:Speakers: Łukasz Laskowski (Institute of Intelligent Computat
ional Systems\, Częstochowa University of Technology\, Poland)\, Magdalen
a Fitta (Institute of Nuclear Physics PAN\, Kraków)\, Robert PEŁKA (Inst
itute of Nuclear Physics PAN\, Kraków)\, Marcin Gajewski (Institute of Nu
clear Physics PAN\, Kraków)\, Magdalena Laskowska (Institute of Intellige
nt Computational Systems\, Częstochowa University of Technology\, Poland)
\, Maria Bałanda (Institute of Nuclear Physics PAN\, Kraków)\n\nOne of t
he possible applications of magnetic molecular clusters is using them for
magnetic refrigeration in the low and ultra-low temperature range. Due to
the high spin values S shown by some molecules\, the total molar magnetic
entropy Smax=Rln(2S+1) (R is a gas constant) is large and the isothermal e
ntropy change ∆S on the change of applied magnetic field ∆H should be
substantial. Values of ∆S or of ∆Tad (the related adiabatic change of
temperature) are the two measures of the magnetocaloric effect (MCE). It i
s known that magnetic anisotropy (if present) of high-spin molecules leads
to strong increase of relaxation time and irreversible behaviour below th
e blocking temperature Tb. While for T>Tb molecular nanomagnets behave lik
e superparamagnets\, at T