Book of Abstractsnmr.phys.spbu.ru/nmrcm/sites/nmr.phys.spbu.ru.nmrcm/files/nmrcmbook-2012.pdfEvgeny...

Saint Petersburg State University Faculty of Physics

Department of Quantum Magnetic Phenomena

International Symposium and Summer School

in Saint Petersburg

�uclear Magnetic Resonance in Condensed Matter

9th

meeting: “�MR in Heterogeneous Systems”

July 9 – 13, 2012

Book of Abstracts

Saint Petersburg, Russia 2012

an AMPERE event

International Symposium and Summer Schoolin Saint Petersburg


9th meeting: “July 9 – 13,

ББК В334.2, Г512 М43 Department of Quantum Magnetic Phenomena

Faculty of Physics, Saint Petersburg State UniversityUlyanovskaya, 3, Saint Petersburg

http://nmr.phys.spbu.ru/nmrcm

M43 �uclear Magnetic Resonance in Condensed Matter:School, 9th meeting: “NMR in Heterogeneous Systems”

ISBN

Symposium and Summer

• Saint Petersburg State University• Russian Foundation for Basic Research• Dynasty Foundation• Bruker BioSpin

With assistance of

• Saint Petersburg Regional Public Foundation for the Development of Physical Faculty

International Advisory Board

V. Balevicius (Vilnius, Lithuania)V. I. Chizhik (Saint Petersburg, Russia)J. Fraissard (Paris, France) H. Haranczyk (Kraków, Poland)S. Jurga (Poznań, Poland) O. B. Lapina (Novosibirsk, Russia)D. Michel (Leipzig, Germany)

Organizing Committee

Co-Chairmen: V. I. Chizhik R. Z. Sagdeev (Novosibirsk)

Vice-Chairmen:

A. V. Komolkin M. G. Shelyapina

Registered names, trademarks, etc. used in this book, even without considered unprotected by law.

ISBN

International Symposium and Summer School in Saint Petersburg


meeting: “NMR in Heterogeneous Systems” 2012

Department of Quantum Magnetic Phenomena Petersburg State University

Petersburg, 198504, Russian Federation

http://nmr.phys.spbu.ru/nmrcm

Magnetic Resonance in Condensed Matter: abstracts of the International Symposium and Summer meeting: “NMR in Heterogeneous Systems” – Saint Petersburg: “Solo” Publisher, 201

Symposium and Summer School are supported by:

etersburg State University

Russian Foundation for Basic Research

Dynasty Foundation

Petersburg Regional Public Foundation for the Development of Physical Faculty

International Advisory Board

nius, Lithuania) V. I. Chizhik (Saint Petersburg, Russia)

H. Haranczyk (Kraków, Poland)

O. B. Lapina (Novosibirsk, Russia) D. Michel (Leipzig, Germany)

V. I. Minkin (RostovK. V. Ramanathan (Bangalore, India)R. Z. Sagdeev (Novosibirsk, Russia)K. M. Salikhov (Kazan, Russia)A. V. Skripov (Ekaterinburg, Russia)N. R. Skrynnikov (Purdue, USA)M. S. Tagirov (Kazan, Russia)

Organizing Committee Members:

S. F. Boureiko A. V. Donets A. V. Egorov V. V. Frolov V. V. Matveev

Layout of Abstracts Book:A. A. Levantovsky

R. Z. Sagdeev (Novosibirsk)

Registered names, trademarks, etc. used in this book, even without specific indication thereof, are considered unprotected by law.

© Organizing Committee NMRCM 201© “Solo” Publisher, Saint Petersburg, 201Printed in Russian Federation.

an

AMPERE event

abstracts of the International Symposium and Summer Saint Petersburg: “Solo” Publisher, 2012. – 140 p.

Petersburg Regional Public Foundation for the Development of Physical Faculty

V. I. Minkin (Rostov-on-Don, Russia) than (Bangalore, India)

R. Z. Sagdeev (Novosibirsk, Russia) K. M. Salikhov (Kazan, Russia) A. V. Skripov (Ekaterinburg, Russia) N. R. Skrynnikov (Purdue, USA) M. S. Tagirov (Kazan, Russia)

Layout of Abstracts Book:

specific indication thereof, are not to be

ББК В334.2, Г512

© Organizing Committee NMRCM 2012, Saint Petersburg, 2012. © “Solo” Publisher, Saint Petersburg, 2012.

– 3 – NMRCM 2012, Saint Petersburg, Russia, July 9 – 13, 2012

Contents

I. Lectures ................................................................................................................ 11

Elena V. Charnaya, Cheng Tien, Min Kai Lee, Dmitrii Y. Podorozhkin, Yurii A. Kumzerov, Juergen Haase,

Dieter Michel

Self-diffusion slowdown in nanostrusctural metallic melts .............................................................................. 13

Sergey V. Dvinskikh

Translational diffusion in anisotropic liquids by pulse field gradient spin echo NMR ...................................... 14

Uwe Eichhoff

Compact Magnetic Resonance: Industrial Applications ................................................................................... 15

H. Harańczyk

1H-NMR relaxation, spectroscopy, and relaxation spectroscopy used for monitoring of residual water

in extremely dry biological systems and in cryptobyotic organisms ................................................................ 16

Stefan Jurga

Structure and dynamics of polymeric nanostructures as studied by NMR and complementary methods ...... 17

Olga B. Lapina and Victor V. Terskikh

Quadrupolar Metal NMR of Oxide Materials Including Catalysts ..................................................................... 18

E. Lima, A. Guzmán, M. Vera, J.-L. Rivera, J. Fraissard

The Secret of the Maya Blue. NMR in Archaeology .......................................................................................... 19

Vytautas Klimavicius, Zofia Gdaniec, Vytautas Balevicius

NMR study of ionic liquids: lyotropic phases, hydrogen bonding, non-equilibrium- and relaxation

effects ................................................................................................................................................................ 20

Dieter Michel

Proton and deuteron ordering and dynamics in solids and in molecules adsorbed in porous materials ........ 21

G. V. Mozzhukhin, B. Z. Rameev

Nuclear quadrupole resonance of energetic materials in low magnetic field .................................................. 22

Tairan Yuwen, Yi Xue, and Nikolai R. Skrynnikov

Modeling a system with intrinsic disorder: an NMR/MD study of peptide-protein encounter complex ........ 23

Peter Tolstoy, Benjamin Koeppe, Svetlana Pylaeva, Erik T. J. Nibbering, Daniel Sebastiani,

Gleb Denisov, Hans-Heinrich Limbach

Solvation of H-Bonded Complexes by Polar Aprotic Solvents: Coupling of the Proton Position to the

Solvent Configuration ....................................................................................................................................... 24

II. Oral Reports ......................................................................................................... 25

Andrey S. Andreev, Olga B. Lapina

Study of metallic Co-containing Fischer-Tropsch Synthesis catalysts by internal field 59Co NMR

technique .......................................................................................................................................................... 27

S. I. Andronenko, A. A. Rodionov, A. V. Fedorova, S. K. Misra

An EPR study of Ba-substituted (La0.33Sm0.67)0.67Sr0.33-xBaxMnO3 ....................................................................... 28

Danila A. Barskiy, Kirill V. Kovtunov, Igor V. Koptyug

Heterogeneous hydrogenation of hydrocarbons over supported metal nanoparticles investigated by

means of parahydrogen-induced polarization .................................................................................................. 29

NMRCM 2011, Saint Petersburg, Russia, June 27 – July 1, 2011 – 4 –

Ferid Bashirov, Nail Gaisin

Spectroscopic studies of hindered molecular motion ...................................................................................... 30

Rinat G. Djambulatov, Alina A. Uskova, Alexey V. Donets, Dieter Michel

Solvation properties of albumin studied by NMR-relaxation ........................................................................... 31

E. A. Dobretsov, Yu. P. Tsentalovich, O. A. Snytnikova and I. V. Koptyug

NMR imaging of extracted eye lenses OXYS and Wistar rats............................................................................ 32

P. V. Dubovskii, A. S. Arseniev

NMR chemical shifts based dynamics study of disulphide-rich proteins in solution ........................................ 33

I. I. Geru, A. N. Barba, S. F. Manole

Study of the water molecules diffusion in chloride aqueous solutions by means of 2D DOSY NMR

method .............................................................................................................................................................. 34

Vadim V. Kachala

Modern Bruker Biospin advances in NMR spectroscopy .................................................................................. 35

Vadim V. Kachala, Elena A. Khokhlova and Valentine P. Ananikov

High resolution NMR spectroscopy in ionic liquids: Carbohydrate conversion reaction monitoring .............. 36

Boris B. Kharkov, Vladimir I. Chizhik

Surfactant aggregation and adsorption studied by separated local field NMR spectroscopy ......................... 37

Alexandr A. Khrapichev

Molecular imaging promises earlier detection of brain cancer ........................................................................ 38

K. Klyukin, M. G. Shelyapina, D. Fruchart

Ab initio studies of Mg/Nb thin films hydrogenation ....................................................................................... 39

Yury G. Kolyagin, Ivan A. Kasyanov, Irina I. Ivanova

In situ MAS NMR study under hydrothermal condition: AlPO-18 synthesis .................................................... 40

Tatiana P. Kulagina, Grigorii E. Karnaukh

Dipole-dipole interactions in condensed matter with two kinds of spins ........................................................ 41

Anastasia Y. Kultaeva, Ekaterina S. Pichugina, Vitaliy L. Berdinskiy

Spin selective recombination as the source of hyperfine excitation in hydrogen atoms. Effects of

magnetic field .................................................................................................................................................... 42

K. Kumaravel, S. Ravichandran, Asish K. Bhattacharya

Antimicrobial peptide isolation and characterization from crab hemolymph through NMR spectra .............. 43

G. S. Kupriyanova, A. P. Popov, A. Y. Zyubin, A. Orlova, E. Prokhorenko, A. Goykhman and P. Ershov

The diagnostics of three layer structures for the magnetic tunnel junctions by magnetic resonance

methods ............................................................................................................................................................ 44

G. S. Kupriyanova, G. V. Mozzhuhin, V. V. Molchanov, E. A. Severin, A. A. Shmelev

The method of multipulse signal detection of nuclear magnetic resonance in inhomogeneous

magnetic field .................................................................................................................................................... 45

E. V. Kurenkova, A. V. Vyvodceva, M. G. Shelyapina, S. A. Lavrov, A. V. Ievlev, V. I. Chizhik,

A. G. Aleksanyan, S. K. Dolukhanyan, N. E. Skryabina

Proton NMR study of Ti1-xVxHy hydrides: hydrogen site occupancy and mobility ............................................. 46

Alexander A. Levantovsky

Batch processing and fitting series of data without scripting in MagicPlot application ................................... 47


Evgeny Markhasin, Alexander B. Barnes, Eugenio Daviso, Vladimir K. Michaelis, Emilio A. Nanni,

Sudheer K. Jawla, Paul Woskov, Ajay Thakkar, Ronald DeRocher, Judith Herzfeld, Richard J. Temkin,

and Robert G. Griffin

Design of Spectrometer for Dynamic Nuclear Polarization and Cryogenic MAS NMR

at 700 MHz / 460 GHz ....................................................................................................................................... 48

Jan-Patrick Melchior, Michael G. Marino

Microstructural features of Anion Exchange Membranes for Alkaline Polymer Electrolyte Fuel Cells

investigated by Spin Diffusion experiments...................................................................................................... 49

E. V. Morozov

NMR Imaging as a tool to study interfaces in colloidal and microheterogeneous systems ............................. 50

Olena S. Papaianina, Michael V. Savoskin, Alexander N. Vdovichenko, Mykhaylo Yu. Rodygin

Epoxides or peroxides? New structure of graphite oxide ................................................................................. 51

A. F. Privalov, B. Kresse, F. Fujara

NMR field-cycling at ultralow fields .................................................................................................................. 52

Sevastyan O. Rabdano, Alexey V. Donets

β-alanine hydration in aqueous solution studied by NMR relaxation method and quantum chemistry ......... 53

V. A. Ryzhov, A. V. Lazuta, P. L. Molkanov, V. P. Khavronin, Y. M. Mukovskii

Paramagnet to Ferromagnet phase transition and phase separation near TC in insulator Pr1-xCaxMnO3

(x = 0.2 and 0.25) manganites ........................................................................................................................... 54

Oleg G. Salnikov, Kirill V. Kovtunov, Danila A. Barskiy, Igor V. Koptyug

Investigation of acrolein hydrogenation over supported metal catalysts and kinetic study of propylene

hydrogenation by Parahydrogen Induced Polarization (PHIP) ......................................................................... 55

Irina Shikhman, Marina Shelyapina, G. S. Kupriyanova

Theoretical studies of structural and magnetic properties of magnetite-iron thin films ................................. 56

Ivan V. Skovpin, Vladimir V. Zhivonitko and Igor V. Koptyug

Immobilized iridium catalysts as promising heterogeneous catalytic systems for generating

parahydrogen-induced polarization.................................................................................................................. 57

Cristina Tealdi, Chiara Ferrara, Lorenzo Malavasi, Piercarlo Mustarelli, Clemens Ritter,

Alberto Spinella, Dominique Massiot, Pierre Florian

Average versus local structure in K2NiF4-type LaSrAlO4: direct experimental evidence of local cationic

ordering ............................................................................................................................................................. 58

III. Poster Session ..................................................................................................... 59

Viktor V. Alexandriysky, Vladimir A. Burmistrov, Irina P. Trifonova, Pavel V. Singin, Oskar I. Koifman

Some aspects of proton exchange in Tetra[3,5-Di(Tert-Buthyl)Phenyl]Porphin .............................................. 61

Viktor V. Alexandriysky, Vladimir A. Burmistrov

Hydrogen bonding in the complexes of nematic Schiff bases with acetic acid by 13C NMR ............................. 62

Tatiana Altshuler, Yuriy Goryunov, Anna Levchenko, Vladimir Filippov

Observation of the Magnetic Phase Separation in EuB6 doped by gadolinium ions ........................................ 63

Roza Aminova, Ellina Martynchuk

Application of ab initio molecular dynamics methods for the investigations of molecular clusters

structure and chemical shifts calculations ........................................................................................................ 64

N. K. Andreev, A. S. Malatsion, F. Grinberg, R. Kimmich

NMR in long rubber filaments flowing in air stream......................................................................................... 65


N. K. Andreev, A. S. Malatsion

NMR in flowing liquid ........................................................................................................................................ 66

N. V. Anisimov, S. S. Batova, K. L. Volkova, M. V. Gulyaev

Combination of T1-selective and tissue specific methods for normal tissue signal suppression in MRI ......... 67

Maria I. Averina, Andrei V. Egorov

Hydration of nitrate anion studied by Car-Parrinello molecular dynamics simulations ................................... 68

Aleksandr S. Azheganov, Aleksey V. Kozodoy, Natalia K. Shestakova and Kseniya P. Zhemchuzhnikova

The internal stresses evolution process in the elastic tube inclusive polymer composite material ................ 69

S. P. Babailov, P. V. Dubovskii

Paramagnetic NMR: from study of specific properties of lanthanoid complexes with polydentate

ligands toward biomolecular applications ........................................................................................................ 70

S. E. Belov, K. V. Ershov

Standard transition Mossbauer measuring for nanocomposites material by spectrometer in the

standard “Euromechanics” ............................................................................................................................... 71

I. G. Borodkina, Yu. V. Koshchienko, S. A. Nikolaevskii, E. V. Korshunova, A. I. Uraev, G. S. Borodkin,

I. S. Vasilchenko, Yu. F. Mal’tsev, D. A. Garnovskii, A. S. Burlov

Heteronuclear and multidimensional NMR spectroscopy of novel tetradentate Shiff base ligands and

their zinc complexes .......................................................................................................................................... 72

Georgy Chuiko, Vladimir Buzko, Igor Sukhno, Khasbi Kushkhov

The MP2 calculations of 139La and 19F NMR chemical shifts in molten LaF3 ..................................................... 73

Georgy Chuiko, Denis Kashaev, Vladimir Buzko, Igor Sukhno

The 139La NMR study of La(III) solvation in 1-n-Butyl-3-Methyl-Imidazolium Chloride .................................... 74

Sergei Dontsov, E. S. Shemetova, Yu. S. Chernyshev

A NMR study of ionic liquids [C8mim]Cl aggregation in a heavy water ............................................................ 75

S. V. Dushina, V. A. Sharnin, G. A. Gamov, V. V. Alexandryisky

Solvation state of nicotinamide in aqueous dimethyl sulfoxide by NMR probing............................................ 76

Galina N. Fedyukina, Boris V. Sakharov, Sergey F. Biketov, Vladimir Ya. Volkov

NMR relaxation study of polymer porous materials for immunochromatographic tests ................................ 77

M. Florek, H. Harańczyk, S. Knutelski, P. Nowak

Physiological moisture effect on Tenebrio molitor, Linnaeus 1758 (Coleoptera: Tenebrionidae) elytra

by NMR and sorption isotherm ......................................................................................................................... 78

N. K. Gaisin, O. I. Gnezdilov, F. I. Bashirov, L. Ya. Zakharova, E. P. Zhiltsova, T. N. Pashirova

Self-diffusion and micellization in water solutions of AB-14 ............................................................................ 79

G. А. Gamov, S. V. Dushina, V. А. Sharnin, V. V. Alexandriysky

Nicotinamide solvates structures determined from quantum chemical calculations and 13C NMR

spectroscopy ..................................................................................................................................................... 80

N. E. Gervits, A. A. Gippius, A. V. Tkachev, N. Buettgen, W. Kraetschmer, C. S. Lue, K. S. Okhotnikov,

V. Yu. Verchenko, A. V. Shevelkov

NQR investigation of metal-insulator transition in Fe1-xCoxGa3 ........................................................................ 81

Yuriy Goryunov, Alexander Nateprov

Spin diffusion in ternary europium pnictides EuZn2P2 and EuZn2Sb2 from the ESR data ................................. 82


H. Harańczyk, J. Kobierski, D. Hebda, P. Nowak, and J. Nizioł

Atmospheric moisture effect on the properties of DNA-CTMA complexes by 1H-NMR spectroscopy ............ 83

H. Harańczyk, P. Nowak, A. Staszowska, M. Kowalska and M. A. Olech

Weather induced changes in rehydration of Cetraria aculeata (Schreb.) Fr. thalli by 1H-NMR

spectroscopy ..................................................................................................................................................... 84

H. Harańczyk, D. Zalitacz, P. Nowak, P. Delong, J. Nizioł

Humidity effect on bound water dynamics in human hair monitored by 1H-NMR .......................................... 85

Krystyna Holderna-Natkaniec, Aneta Wozniak-Braszak, Kazimierz Jurga, Jan Jurga, Bogumil Brycki,

Ireneusz Natkaniec

Dynamical heterogeneity of PBT nanocomposities with decylamine- and tetracyanoethene–fullerene

adducts by 1H NMR ........................................................................................................................................... 86

Krystyna Holderna-Natkaniec, Maria Zdanowska-Frączek, Paweł Ławniczak, Czesław Pawlaczyk

1H NMR molecular dynamics study of benzimidazolium azelate protonic conductor ..................................... 87

Oksana Ilina, Vyacheslav V. Frolov

Fresnel transform and concomitant gradients in NMR imaging ....................................................................... 88

Boris B. Kharkov

Development of separated local field NMR spectroscopy in concentrated surfactant mesophases ............... 89

R. R. Khusnutdinov

Tensor of the inhomogeneous broadening in 14N NQR spin systems ............................................................... 90

Alina Koneva, E. A. Safonova, Y. S. Chernyshev

Spin-echo 1H NMR study of microstructure of water-in-hydrocarbon microemulsions containing

Span80:Tween80 mixed surfactants ................................................................................................................. 91

Tatiana P. Kulagina, Varvara A. Varakina, Anastasia N. Kuzina, Grigorii E. Karnaukh, Lev P. Smirnov

Topological Structure and Self-diffusion in Linear Flexible Polymers ............................................................... 92

Pavel A. Kupriyanov, Vladimir I. Chizhik

Some peculiarities of detection of NMR signals in the Earth magnetic field.................................................... 93

G. S. Kupriyanova, O. Yu. Senchenkova, D. S. Shurpik, Ya. V. Veremeychik

Research of molecular structure of the synthesized sulfonamides using methods of NMR

spectroscopy ..................................................................................................................................................... 94

Sergey E. Kurnikov, Alexey V. Donets

Hydration properties of the Na+ in aqueous solutions studied by NMR relaxation and quantum

chemical calculations ........................................................................................................................................ 95

Vladimir S. Kuzmin, Vladimir M. Kolesenko

Single-pulse echo signals under the conditions of zeeman switching .............................................................. 96

Konstantin M. Litov, Sofya A. Kuvshinova, Vladimir A. Burmistrov

Synthesis, structural investigations and mesomorphic properties of supramolecular bifunctional

azobenzenes ...................................................................................................................................................... 97

V. Loskutov, S. Zhakov, Y. Dolomansky

Dependence of the transverse relaxation time T2 of fluid in porous medium on the flow velocity ................ 98

Maksim Yu. Lucenko

Magnetic field homogeneity analyser............................................................................................................... 99


P. V. Lukashev, K. V. Tyityikin

Low-field studies of porous media .................................................................................................................. 100

A. V. Malkova, V. A. Ryzhov, I. V. Pleshakov, A. A. Nechitailov, I. A. Kiselev, V. V. Matveev

Study of semiconductor composite based on cobalt and porous silicon ....................................................... 101

Ya. Yu. Marchenko, B. P. Nikolaev, L. Yu. Yakovleva, A. V. Dobrodumov, Yu. V. Bogachev,

Yu. S. Grushko, V. T. Lebedev

Magnetic Relaxation Study of Water–soluble Gadofullerene as potential contrast agent for

theranostics ..................................................................................................................................................... 102

Ya. Yu. Marchenko, A. N. Shishkin, L. Yu. Yakovleva, B. P. Nikolaev

Proton Relaxivity Study of Heat Shock Proteins: magnetic Hsp70 conjugate as potential MRI contrast

agent ............................................................................................................................................................... 103

Ya. Yu. Marchenko, A. N. Shishkin, L. Yu. Yakovleva, B. P. Nikolaev

The Magnetic Relaxation Approach for Biosensing cancer markers: the Relaxivity of Magnetic

Nanoparticles conjugated with Epidermal Growth Factor following the specific antibody recognition........ 104

Vladimir V. Matveev, Ekaterina Brui, Denis A. Markelov, Petri Ingman

13C NMR investigation of molecular mobility of ionic liquids of [BMIM]BF4, [BMIM]FP6, and [EMIM][Ac] ... 105

Anton Mazur, Tatiana Tarasenko

55Mn NMR in manganites La1-xBixMnO3........................................................................................................... 106

A. S. Mazur, V. S. Zakhvalinskii, E. A. Piliuk, V. V. Matveev

Investigation of a behavior of La0.7Sr0.3Mn1-yFeyO3 ceramic samples using NMR technique .......................... 107

Jan-Patrick Melchior, Thomas Bräuniger

The “pseudo nematic effect” in D2O swollen proton exchange membranes: A versatile tool for

analysing the microstructure of hydrated Nafion ........................................................................................... 108

Ivan Mershiev

Development of a mobile NMR/NQR spectrometer ....................................................................................... 109

L. P. Mikhailenko, E. V. Morozov

NMR Imaging application to study processes of nanodiamonds gel formation in-situ .................................. 110

A. Naumova, V. Frolov, Yu. Bogachev, Yu. Chernenko2, Ya. Marchenko

Double Electron-Nuclear Magnetization Transfer in Low-Field MRI .............................................................. 111

A. V. Pashchenko, V. P. Pashchenko, A. S. Mazur, Yu. F. Pevenko, V. K. Prokopenko, A. G. Sil’cheva1,

P. P. Konstantinov

55Mn NMR and phase transitions of heterogeneous metal-oxide La0.6Sr0.3-хBiхMn1.1О3 ................................. 112

Konstantin Pervushin

Social networking for setup, execution, sharing and analytics of complex NMR experiments and

applications to gamma secretase Pen-2 membrane protein .......................................................................... 113

Ivan V. Pleshakov, Stanislav I. Goloshchapov, Nikolay S. Klekhta

Spin echo formation in magnetically ordered polycristalline medium: action of pulse and permanent

magnetic field .................................................................................................................................................. 114

Svetlana Pylaeva, Peter Tolstoy, Benjamin Koeppe, Christoph Allolio, Daniel Sebastiani, Gleb Denisov

Fluctuations of H-bond geometry due to the solvent-solute interactions studied by means of

computer simulations ..................................................................................................................................... 115


Filipp Riabchun, Viatcheslav Frolov

Numerical optimisation of Dynamical Nuclear Polarisation parameters for 1.5-Tesla Proton-Electron

Double Resonance Imaging ............................................................................................................................. 116

Tatyana Ryumshyna

About the correlation between the elastic and electric properties ............................................................... 117

V. A. Ryzhov, A. V. Lazuta, P. L. Molkanov, V. P. Khavronin, Y. M. Mukovskii

Paramagnet to ferromagnet phase transition and phase separation near Tc in insulator Pr0.7Ca0.3MnO3

manganite with close to optimal for insulator to metal transition level of doping ........................................ 118

A. F. Sadykov, A. P. Gerashchenko, Yu. V. Piskunov, V. V. Ogloblichev, A. G. Smolnikov

Application of NMR technique to definition of magnetic structure LiCu2O2 .................................................. 119

Boris V. Sakharov, Tatiana Kornushina, Galina Sakharova, Sergey N. Viryasov

Time domain NMR study of structural organization of crystals and microstructure of fat crystal

networks on model systems of triolein-tristearin mixtures .......................................................................... 120

Elena Shishmakova

Spin-lattice NMR relaxation of the carbosilane dendrimer functional groups in the dilute chloroform

solution ........................................................................................................................................................... 121

Anna Shmyreva

Experimental detection of atoms with enhanced magnetic moments by Co-59 NMR method in

nanostructural sample .................................................................................................................................... 122

A. G. Smolnikov, V. V. Ogloblichev, A. Yu. Yakubovsky, A. F. Sadykov, Yu. V. Piskunov, A. P. Gerashenko,

S. V. Verkhovskii, S. Barilo

63,65Cu NMR/NQR researches into paramagnetic and ordered states of the antiferromagnet CuCrO2 ......... 123

Vladimir Trachevsky, Svetlana Zymina

Structural and functional characteristic of natural carbon nanocomposites ................................................. 124

Tatyana А. Vasilenko, Andrey K. Kirillov, Alexander N. Molchanov, Grigoriy A. Troitsky,

Andrey V. Vyshnyakov

The pore distribution in coals of the Donets basin derived by NMR spin-echo ............................................. 125

A. A. Volkov, S. K. Kakageldyev, Yu. A. Pirogov, A. S. Prokhorov

Magnetic-resonance thermometry in model media ....................................................................................... 126

Mikhail A. Vovk, Vladimir I. Chizhik, Dieter Michel

Solvation of haloid ions (Br, I) in aqueous solution by NMR-relaxation method ........................................... 127

Anna V. Vyvodtceva, Elena V. Kurenkova, Marina G. Shelyapina

Proton spin-lattice relaxation in hydrides of Ti1-xVx alloys .............................................................................. 128

A. I. Zhernovoy, Yu. R. Rudakov, S. V. Dyachenko

NMR study of the implementation of the Curie law in sols of paramagnetic nanoparticles ......................... 129

Author Index .......................................................................................................... 131

List of Participants ................................................................................................. 135

Part I

Lectures

Self-diffusion slowdown in nanostrusctural metallic melts

Elena V. CharnayaYurii A. Kumzerov

Physics Department, St. Petersburg State UniversityE-mail: charnaya1Physics Department, National Cheng Kung University2Ioffe Physiko-Technical Inst3Faculty of Sciences and Geosciences, Leipzig University, Leipzig D

1. Introduction The important feature of any melts is atomic mobility

which is directly related to the processes of atomic diffusand viscosity. The possible changes in atomic mobility under size reduction influence, in particularinject the melt into narrow channels for producing electronic components. For many liquid metals and alloys the correlation time of atomic mobility can be found by NMR measurements of nuclear spin relaxation. In the present report we review recent studies of mobility slowdown in nanostructural gallium, indium and gallium alloys.

2. Samples and experiment We have studied liquid metals and alloys embedded into

nanoporous matrices and thin metallic films. Opals and porous glasses which were used as matrices have pore size from 2 to 200 nm. Thickness of island films was of the order of several microns. Measurements of nuclear spinrelaxation and the Knight shift were carried out for two gallium isotopes 71Ga and 69Ga and for Avance Bruker NMR spectrometers at two different magnetic fields.

0 100 200time (µs)

0

0.4

0.8

inte

nsi

ty (

rel.

un

its)

- 69G

- 69G

- 71G

- 71G

Figure 1. Longitudinal magnetization recovery curv

Solid lines are theoretical calculations

– 13 – NMRCM 2012, Saint Petersburg, Russia, July 9

diffusion slowdown in nanostrusctural metallic melts

Charnaya, Cheng Tien1, Min Kai Lee1, Dmitrii Y.Kumzerov2, Juergen Haase3, Dieter Michel3

Physics Department, St. Petersburg State University, St. Petersburg 198504, Russia [email protected]

Physics Department, National Cheng Kung University,Tainan 70101, TaiwanTechnical Institute RAS, St. Petersburg 194021 Russia

Faculty of Sciences and Geosciences, Leipzig University, Leipzig D-04103, Germany

The important feature of any melts is atomic mobility which is directly related to the processes of atomic diffusion and viscosity. The possible changes in atomic mobility under size reduction influence, in particular, the ability to

for producing flexible many liquid metals and alloys

me of atomic mobility can be found by NMR measurements of nuclear spin relaxation. In the present report we review recent studies of mobility slow-down in nanostructural gallium, indium and gallium alloys.

metals and alloys embedded into

nanoporous matrices and thin metallic films. Opals and porous glasses which were used as matrices have pore size from 2 to 200 nm. Thickness of island films was of the order of several microns. Measurements of nuclear spin-lattice relaxation and the Knight shift were carried out for two

Ga and for 115In isotope using Avance Bruker NMR spectrometers at two different

300 400

Ga, 9.4 T

Ga, 17.6 T

Ga, 9.4 T

Ga, 17.6 T

magnetization recovery curves.

are theoretical calculations

3. Results and discussion Drastic spin-lattice relaxation acceleration was observed

for liquid nanostructural gallium and indium metals and for Ga-In alloys of various composition (see [1references therein). Fig.1 shows an example of magnetization recovery curves the liquid Ga-In alloy confined to that longitudinal relaxation for both isotopes compared to that in bulk and recovery of longmagnetization is noticeably faster at magnetic field 9.4 T. The field dependence of the relaxation rate evidences the extreme narrowing limit isrelaxation in this particular case.for other metallic liquids under nanoconfinement and thin films. Note that the Knight shift was changes but slightly and decreased compared to bulk. The correlation time of atomic mobility was calculated and the pore size and increase more thmagnitude for fine pores. An example for the Gashown in Table 1. Additional slowing down in atomic mobility was observed for the supercooled state.

Table 1. Evaluated correlation times and their ratio

value in bulk

Alloy Bulk

τ (10-6 µs) 14 τ/τb 1

Acknowledgements This work is supported by RFBR (Russia), NCKU

(Taiwan) and DAAD (Germany).

References [1] E. V. Charnaya, C. Tien, M. K. Lee, Yu. A. Kumzerov,

J. Phys.: Condens. Matter 22[2] D. Yu. Podorozhkin, Cheng Tien, E. V. Charnaya, M.

K. Lee, L. J. Chang, D. Michel, J. Haase, Yu. A. Kumzerov, Physica B 407 (

[3] E. V. Charnaya, C. Tien, M. K. Lee, Yu. A. Kumzerov, Phys. Rev. B 75 (2007) 144101

[4] E. V. Charnaya, C. Tien, Yu. A. Kumzerov, A. V. Fokin, Phys. Rev. B 70 (2004) 052201

[5] E. V. Charnaya, C. Tien, W. Wang, M. K. Lee, D. Michel, D. Yaskov, S. Y. Sun, Yu. A. Kumzerov, Phys. Rev. B 72 (2005) 035406.

NMRCM 2012, Saint Petersburg, Russia, July 9 – 13, 2012

diffusion slowdown in nanostrusctural metallic melts

Y. Podorozhkin,

St. Petersburg 198504, Russia

70101, Taiwan

04103, Germany

Results and discussion lattice relaxation acceleration was observed

for liquid nanostructural gallium and indium metals and for In alloys of various composition (see [1-5] and

hows an example of experimental for two gallium isotopes in

In alloy confined to 5 nm pores. One can see longitudinal relaxation for both isotopes is much faster

and recovery of longitudinal magnetization is noticeably faster at magnetic field 9.4 T. The field dependence of the relaxation rate evidences that

is no longer valid for spin this particular case. Similar results were found

metallic liquids under nanoconfinement and thin films. Note that the Knight shift was changes but slightly and decreased compared to bulk. The correlation time of atomic mobility was calculated and was found to depend on the pore size and increase more than by an order of

An example for the Ga-In alloy is Additional slowing down in atomic

mobility was observed for the confined metals in the

Evaluated correlation times and their ratio to the

200 nm 5 nm

17 370 1.2 26

This work is supported by RFBR (Russia), NCKU (Taiwan) and DAAD (Germany).

E. V. Charnaya, C. Tien, M. K. Lee, Yu. A. Kumzerov, 22 (2010) 195108.

D. Yu. Podorozhkin, Cheng Tien, E. V. Charnaya, M. K. Lee, L. J. Chang, D. Michel, J. Haase, Yu. A.

2012) 2063. E. V. Charnaya, C. Tien, M. K. Lee, Yu. A. Kumzerov,

(2007) 144101. Charnaya, C. Tien, Yu. A. Kumzerov, A. V.

(2004) 052201. E. V. Charnaya, C. Tien, W. Wang, M. K. Lee, D. Michel, D. Yaskov, S. Y. Sun, Yu. A. Kumzerov, Phys.

NMRCM 2012, Saint Petersburg, Russia, July 9

Translational diffusion in anisotropic liqu

gradient spin echo �MR

Sergey V. Dvinskikh

Department of Chemistry and Industrial NSE-10044 Stockholm, Sweden E-mail: [email protected]

Liquid crystals are anisotropic fluids: the dynamics of

molecules is fast but orientationally restricted as a consequence of anisotropic intermolecular Molecules in liquid crystals exhibit high translational mobility. In contrast to isotropic liquids where the selfdiffusion is described by a scalar diffusion coefficient, the translational self-diffusion in mesophases is characterized by a diffusion tensor.

While diffusion can be studied by a variety of experimental techniques NMR is currently the predominant method in diffusion studies of liquid crystals primarily because in most of the other techniques it is the diffusion of the molecular labels that is measured, which reflects only indirectly the diffusion of the molecules constituting the mesophase.

In pulse field gradient spin echo NMR experiment molecular displacement is detected via gradientand re-phasing of spin coherences. Diffusion can be measured only if the spins can be sufficiently dephased which is strongly limited in liquid crystals exhibiting typically short spin-spin relaxation times. Fast decay of single-quantum coherences sets an upper limit to the length of applicable gradient encoding/decoding time in diffusion experiments and, thereby, a lower limit to accessible diffusion coefficients. Most general approach for diffusion studies in liquid crystals involves combining spin decoupling techniques with pulse field gradient [1].

Figure below demonstrates the measurement of diffusion constants along different directions with respect to phase director in homogeneously aligned nematic 5CB.Microimaging probe with three orthogonal gradients was used. Spin echo sequence was combined with homonuclear spin decoupling [2].

In this contribution different NMR approaches to diffusion measurements in liquid crystalline materials will be presented. Technique improvement based on recent

NMRCM 2012, Saint Petersburg, Russia, July 9 – 13, 2012 – 14 –

Translational diffusion in anisotropic liquids by pulse field

gradient spin echo �MR

Dvinskikh

Department of Chemistry and Industrial NMR Centre, Royal Institute of Technology 10044 Stockholm, Sweden

mail: [email protected]

Liquid crystals are anisotropic fluids: the dynamics of molecules is fast but orientationally restricted as a consequence of anisotropic intermolecular interactions. Molecules in liquid crystals exhibit high translational mobility. In contrast to isotropic liquids where the self-diffusion is described by a scalar diffusion coefficient, the

diffusion in mesophases is characterized

While diffusion can be studied by a variety of experimental techniques NMR is currently the predominant method in diffusion studies of liquid crystals primarily because in most of the other techniques it is the diffusion of

labels that is measured, which reflects only indirectly the diffusion of the molecules constituting the

In pulse field gradient spin echo NMR experiment molecular displacement is detected via gradient-assisted de-

es. Diffusion can be measured only if the spins can be sufficiently dephased which is strongly limited in liquid crystals exhibiting

spin relaxation times. Fast decay of quantum coherences sets an upper limit to the length

plicable gradient encoding/decoding time in diffusion experiments and, thereby, a lower limit to accessible diffusion coefficients. Most general approach for diffusion studies in liquid crystals involves combining spin

d gradient [1]. Figure below demonstrates the measurement of diffusion

constants along different directions with respect to phase director in homogeneously aligned nematic 5CB. Microimaging probe with three orthogonal gradients was

was combined with homonuclear

In this contribution different NMR approaches to diffusion measurements in liquid crystalline materials will be presented. Technique improvement based on recent

development of gradient probes technology wdiscussed. Experimental results of studying diffusion processes obtained in various types of mesophases [1be shown.

0 45 90 135 1800

2

4

6

8

D, 10-11 m

2/s

angle

Figure 1. Diffusion coefficients measured in nematic 5CB

depending on the direction of the field

to the phase director. Solid and open symbols

direction varying in ZY and XY planes, respectively

Acknowledgements This work was supported by Swedish Research

Council VR.

References [1] S. V. Dvinskikh, I. Furó.

(2006). [2] S. V. Dvinskikh, I. Furó.

(2001). [3] M. Cifelli, V. Domenici, S. V. Dvinskikh, M.

Glogarova, C. A. Veracini. Soft Matter[4] M. Cifelli, V. Domenici, S. V. Dvinskikh, C. A.

Veracini, H. Zimmermann. (2012).

[5] A. E. Frise, S. V. Dvinskikh, H. Ohno, T. Kato, I. Furó. J. Phys. Chem. B, 114, 15477

ids by pulse field

MR Centre, Royal Institute of Technology - KTH,

development of gradient probes technology will be discussed. Experimental results of studying diffusion processes obtained in various types of mesophases [1-5] will

180 225 270 315 360

angle

Diffusion coefficients measured in nematic 5CB

depending on the direction of the field gradient with respect

to the phase director. Solid and open symbols – gradient

direction varying in ZY and XY planes, respectively

ted by Swedish Research

S. V. Dvinskikh, I. Furó. Russ. Chem. Rev. 75, 497

S. V. Dvinskikh, I. Furó. J. Chem. Phys. 115, 1946

Cifelli, V. Domenici, S. V. Dvinskikh, M. Soft Matter 6, 5999 (2010).

M. Cifelli, V. Domenici, S. V. Dvinskikh, C. A. Phase Transitions. In press

A. E. Frise, S. V. Dvinskikh, H. Ohno, T. Kato, I. Furó. , 15477 (2010).

Compact Magnetic Resonance:

Uwe Eichhoff

Bruker BioSpin GmbH, DE-mail: uwe.eichhoff@bruker

1. Introduction Magnetic Resonance, EPR and NMR,

had to meet many new requirements and were extended to completely new fields of application. This was possible due to the introduction of Fourier Transform, which extended NMR to the entire periodic system, and multidimensional spectroscopy, which enhanced the information content of NMR by orders of magnitude. The primary, secondary and tertiary structures of proteins can be determined exclusively by NMR. Proton frequency increased to the magic line of 1 GHz. Imaging has found application in medical diagnostics as well as in biomedical land pharmaceutical research, in material science and NMR rheology. All these possibilities can be implemented in a single spectrometer. A similar development, although a decade later, took place in EPR, now covering a frequency range from 1400GHz in both cw and pulsed methods.

2. Automation Parallel there was another direction of development.

introduction of NMR into many branches of industry with large series of routine measurements and the lack of highly qualified and expensive NMR scientists led to increasing automation of all steps of NMR measurements beginning with sample preparation and ending with spectra evaluation. Automatic sample handling is possible by preparation of samples in tubes and transfer to the magnet by sample changers or by sample preparation in vials and liquid injection into flow through-probeheads. This approach was initially used for LC-NMR, but proved so effective, that it was adopted as another method of sample changing.

3. Statistical analysis of �MR spectraQuality control in many branches of industry requires the

continuous analysis in a production line or the assessment of product quality by comparing to required standards. In this case statistical analysis of a large amount of sampshow deviations from the required quality by completety automated measurement procedures. The NMR spectrometer becomes a product analyzer.

A good example for such kind of measurements are the metabolic screening of body fluids and the quality and origin control of food products. These measurements are performed on modified high resolution NMR spectrometers at proton frequencies of 600 and 400 MHz.

4. Routine Spectrometer for organic synthesisFor routine structure determination of small molecules i

an organic synthetic laboratory often two


Compact Magnetic Resonance: Industrial Applications

Bruker BioSpin GmbH, D-76287 Rheinstetten, Germany [email protected]

in the last decades had to meet many new requirements and were extended to completely new fields of application. This was possible due to the introduction of Fourier Transform, which extended NMR to the entire periodic system, and multidimensional

ed the information content of NMR by orders of magnitude. The primary, secondary and tertiary structures of proteins can be determined exclusively by NMR. Proton frequency increased to the magic line of

GHz. Imaging has found application in medical ostics as well as in biomedical land pharmaceutical

research, in material science and NMR rheology. All these possibilities can be implemented in a single spectrometer. A similar development, although a decade later, took place in

ency range from 1 GHz to

Parallel there was another direction of development. The introduction of NMR into many branches of industry with large series of routine measurements and the lack of highly

fied and expensive NMR scientists led to increasing NMR measurements beginning

with sample preparation and ending with spectra evaluation. Automatic sample handling is possible by preparation of

he magnet by sample changers or by sample preparation in vials and liquid

probeheads. This approach was NMR, but proved so effective, that it

was adopted as another method of sample changing.

analysis of �MR spectra Quality control in many branches of industry requires the

continuous analysis in a production line or the assessment of product quality by comparing to required standards. In this case statistical analysis of a large amount of samples will show deviations from the required quality by completety automated measurement procedures. The NMR spectrometer

A good example for such kind of measurements are the metabolic screening of body fluids and the quality and origin control of food products. These measurements are performed on modified high resolution NMR spectrometers at proton frequencies of 600 and 400 MHz.

4. Routine Spectrometer for organic synthesis For routine structure determination of small molecules in

an organic synthetic laboratory often two nuclei 1H and 13C

at a proton frequency of 300 MHz may be sufficient. The new spectrometer Fourier 300 single probehead optimized for both nuclei, eliminating the need for tuning and matching and thus increasing sample throughput, the main requirement in a big synthetic laboratory.

5. �MR relaxation analyser MinispecThere are other NMR applications in industry, where a

spectrum is not needed. Simple proton relaxation measurements may provide directly in complete automation the necessary valuable information without special requirements for resolution and sensitivity, since measurements are made on abundant protons. A proton frequency of 10 or 20 MHz is sufficient and the corresponding magnetic field can be created by a simple permanent magnet. The Minispec, initially developed together with Unilever for determination of the solid fat content in margarine is an excellent example. This instrument has found widespread application in chempetrochemical, textile, polymer, food industries, agriculture and medicine. The measurements are based on the analysis of the free induction decay, the spin echo or the CPGM sequence, making use of the difference in the relaxation behaviour of rigid and mobile protons and between solid and liquid phase. Many international standards have been created , for instance for the hydrogen content in hydrocarbons, the solid fat content in fat compositions and the determination of oil and moisture in seeds.

In polymers most important features like crystallinity, degree of polymerization, polymerization rate, crosslink density can be determined. Vulcanizationheating times must be optimized. Heating timesa crosslinking density as high as possible. If heating time is too short central regions of big parts will not be completely vulcanized. If the vulcanization time is too longdamaging surface regions due toSpatially resolved NMR relaxation offershomogeneity of the final product.

6. EPR analyzer In EPR there are many applications in medicine and food

industry, where only the radical concentration has to be determined. EPR dosimetry is another application which can be easily automated and remote controlled, enabling permanent control of irradiation facilities. A very special application in food industry is the the determination of beer shelf life, which monitors the action of internal antioxidants on the free radicals concentration using spin traps.


Industrial Applications

MHz may be sufficient. The will fill this gap. It has one

single probehead optimized for both nuclei, eliminating the d matching and thus increasing sample

throughput, the main requirement in a big synthetic

5. �MR relaxation analyser Minispec There are other NMR applications in industry, where a

spectrum is not needed. Simple proton relaxation y provide directly in complete automation

the necessary valuable information without special requirements for resolution and sensitivity, since measurements are made on abundant protons. A proton

MHz is sufficient and the g magnetic field can be created by a simple

permanent magnet. The Minispec, initially developed together with Unilever for determination of the solid fat content in margarine is an excellent example. This instrument has found widespread application in chemical, petrochemical, textile, polymer, food industries, agriculture and medicine. The measurements are based on the analysis of the free induction decay, the spin echo or the CPGM sequence, making use of the difference in the relaxation

and mobile protons and between solid and liquid phase. Many international standards have been created , for instance for the hydrogen content in hydrocarbons, the solid fat content in fat compositions and the determination of oil and moisture in seeds.

polymers most important features like crystallinity, degree of polymerization, polymerization rate, crosslink

Vulcanization temperatures and heating times must be optimized. Heating times must ensure

h as possible. If heating time is central regions of big parts will not be completely

If the vulcanization time is too long the risk of damaging surface regions due to overheating is very high. Spatially resolved NMR relaxation offers easy control of the homogeneity of the final product.

In EPR there are many applications in medicine and food industry, where only the radical concentration has to be determined. EPR dosimetry is another application which can

omated and remote controlled, enabling permanent control of irradiation facilities. A very special application in food industry is the the determination of beer shelf life, which monitors the action of internal antioxidants

on using spin traps.


1H-�MR relaxation, spectroscopy, and relaxation spectroscopy

used for monitoring of residual water in extremely dry biological

systems and in cryptobyotic organisms

H. Harańczyk

Institute of Physics, JagielE-mail: [email protected]

For the organisms surviving the extreme dehydration, for lichenized fungi [1], and for insects [2], water behavior at the initial steps of rehydration controls life recovery from cryptobyotic form [3]. The dilution of water soluble solid substances needed for the life activities of the living organism re-starting its metabolism may occur on two ways, namely, either on simple dilution, as it is observed in somplant tissues [4], or by enzyme-induced active biodecomposition, which is the way used by lichenized fungi. Similar mechanism is detected for higher plants at initial phases of seed imbibition [5, 6]. As dehydration seems to be one of ways for dealing with freezing, the observation of residual water yields a piece of information also on freezing tolerance of living organisms [7-10].

Proton NMR relaxometry and spectroscopy monitor the molecular dynamics of residual water behavior in living organism recovering from cryptobyosis, in dry animal tissues [11], and biological systems like conducting biopolymers [12, 13]. 1H relaxation spectroscopy may distinguish several kinds of loosely bound water, which may be applicable e.g. for the technical purity biopolymers.


�MR relaxation, spectroscopy, and relaxation spectroscopy


systems and in cryptobyotic organisms

Institute of Physics, Jagiellonian University, Cracow, ul. Reymonta 4, [email protected]

For the organisms surviving the extreme dehydration, e.g. for lichenized fungi [1], and for insects [2], water behavior

ols life recovery from cryptobyotic form [3]. The dilution of water soluble solid substances needed for the life activities of the living

starting its metabolism may occur on two ways, namely, either on simple dilution, as it is observed in some

induced active bio-polymer decomposition, which is the way used by lichenized fungi. Similar mechanism is detected for higher plants at initial

6]. As dehydration seems to be ealing with freezing, the observation of

residual water yields a piece of information also on freezing

Proton NMR relaxometry and spectroscopy monitor the molecular dynamics of residual water behavior in living

m recovering from cryptobyosis, in dry animal tissues [11], and biological systems like conducting

H relaxation spectroscopy may distinguish several kinds of loosely bound water, which may

. for the technical purity tests of conducting

References [1] R. Del-Prado, L.G. Sancho, [2] M. Watanabe, T. Sakashita, A. Fujita, T. Kikawada, D.

D. Horikawa, Y. Nakahara, S. Wada, T. Funayama, N. Hamada, Y. Kobayashi, T. Okuda, 82, 587-592 (2006)

[3] H. Harańczyk, On water in extremely dry biological systems, WUJ, Kraków (2003

[4] H. Harańczyk, W. P. Węglarz, Z. Sojka, 53, 299-310 (1999)

[5] T.W. Hegarty, Plant, Cell & Environment, (1978)

[6] H. Harańczyk, K. Strzałka,Bojarska, Colloids &Surfaces

[7] H. Harańczyk, M. Bacior, M.A. Olech, Science 20, 527-535 (2008)

[8] H. Harańczyk, M. Bacior, P. Jastrzębska, M.A. Olech, Acta Phys. Polon. A115, 516

[9] H. Harańczyk, Ł. Pater, P. Nowak, M. Bacior, M.A. Olech, Acta Phys. Polon. 121

[10] H. Harańczyk, P. Nowak, M. Bacior, M. Lisowska, M. Marzec, M. Florek, M.A. Olech(DOI:10.1017/S0954102012000041

[11] H. Harańczyk, M. Florek, P. Acta Phys. Polon. 121, 489-

[12] H. Harańczyk, J. Czak, P. Nowak, J. Nizioł, Acta Polon. A117, 257-262 (2010)

[13] H.Harańczyk, J.Kobierski, D.Zalitacz, P.Nowak, A.Romanowicz, M.Marzec, J.Nizioł121, 483-488, (2012)

�MR relaxation, spectroscopy, and relaxation spectroscopy


lonian University, Cracow, ul. Reymonta 4, 30-059 Cracow

Prado, L.G. Sancho, Flora 195: 51-60 (2000) M. Watanabe, T. Sakashita, A. Fujita, T. Kikawada, D. D. Horikawa, Y. Nakahara, S. Wada, T. Funayama, N. Hamada, Y. Kobayashi, T. Okuda, Int. J. Radiat. Biol.

On water in extremely dry biological

2003) H. Harańczyk, W. P. Węglarz, Z. Sojka, Holzforschung,

Plant, Cell & Environment, 1, 101-119,

H. Harańczyk, K. Strzałka, G. Jasiński, K. Mosna-Colloids &Surfaces, A115, 47-54 (1996)

H. Harańczyk, M. Bacior, M.A. Olech, Antarctic

H. Harańczyk, M. Bacior, P. Jastrzębska, M.A. Olech, 516-520 (2009)

ater, P. Nowak, M. Bacior, M.A. 121, 478-482, (2012)

H. Harańczyk, P. Nowak, M. Bacior, M. Lisowska, M. Marzec, M. Florek, M.A. Olech, Antarctic Science, DOI:10.1017/S0954102012000041), in press (2012)

H. Harańczyk, M. Florek, P. Nowak and S. Knutelski, -494, (2012)

H. Harańczyk, J. Czak, P. Nowak, J. Nizioł, Acta Phys. 262 (2010)

H.Harańczyk, J.Kobierski, D.Zalitacz, P.Nowak, A.Romanowicz, M.Marzec, J.Nizioł, Acta Phys. Polon.

Structure and d

by �MR and complementary m

Stefan Jurga

Department of Macromolecular PhysicsAdam Mickiewicz UniversityUmultowska 85, 61

Polymer science research is focused on macromolecules

with different topologies and chemical structures. Compounds built from several monomer species show complex structural and dynamical properties. It is a challenging task to relate structure and dynamics of a polymeric system. In this talk I will discussbetween structure and dynamics of flexible polymer networks with arbitrary architecture using NMR, Dielectric and Mechanical Relaxations, FTIR, DSC antechniques as well as microscopy methods includingTEM and SEM techniques. Application of these various methods makes it possible to characterize the structure and dynamics of polymers in a wide frequency and temperature range. The interdependence between structure and molecular dynamics will presented based on three polymeric nanostructures.

As the first example, structure, molecular dynamics and crystallization processes of star polymers with mixed arms miktoarms made of poly(butyl acrylate)poly(ethylene oxide) (PEO) arms connected to one core, of different molar ratios of PBA/PEO, and of linear homopolymers, as well as with star homopolymers of PEO


Structure and dynamics of polymeric nanostructures

by �MR and complementary methods

Department of Macromolecular Physics and NanoBioMedical Centre Adam Mickiewicz University Umultowska 85, 61-614 Poznań, Poland

Polymer science research is focused on macromolecules with different topologies and chemical structures. Compounds built from several monomer species show

dynamical properties. It is a ing task to relate structure and dynamics of a

polymeric system. In this talk I will discuss the relation and dynamics of flexible polymer

networks with arbitrary architecture using NMR, Dielectric , DSC and XRD

techniques as well as microscopy methods including AFM, Application of these various

possible to characterize the structure and dynamics of polymers in a wide frequency and temperature

ce between structure and molecular dynamics will presented based on three polymeric

molecular dynamics and crystallization processes of star polymers with mixed arms – miktoarms made of poly(butyl acrylate) (PBA) and poly(ethylene oxide) (PEO) arms connected to one core, of different molar ratios of PBA/PEO, and of linear

as well as with star homopolymers of PEO

and PBA will be discussed [1]. The second example concerns

isoprene) diblock copolymer composition, comprising PS and PI chain blocks of a different molecular weights. The immiscible polystyrene (PS) and polyisoprene (PI) systems exhibit the ability to self-organize by phase separation.rheology and dielectric relaxationthe structure and dynamics of a SI copolymer and its neat components, as well as to revealprocesses [2].

Finally, the structure and dynamics of water dispersion polyacrylic acid and its mixtures studied by NMR diffusion, rheology and TEM techniques will be presented.

References [1] Makrocka-Rydzyk M, Wypych A,

Kozak M, Jurga S, Gao H, Cho HY, Matyjaszewski K.Polymer 2011;52:5513-5520

[2] Jenczyk J, Makrocka-Rydzyk M, Wypych A, Głowinkowski S, Jurga S, Crystalline Solids, 2010; 356, 582


polymeric nanostructures as studied

The second example concerns the poly(styrene-b- (SI) nearly symmetric in

composition, comprising PS and PI chain blocks of a The immiscible polystyrene

(PS) and polyisoprene (PI) systems exhibit the ability to organize by phase separation. With SAXS, AFM, NMR,

relaxation we were able to analyse dynamics of a SI copolymer and its neat

to reveal different relaxation

Finally, the structure and dynamics of water dispersion of polyacrylic acid and its mixtures studied by NMR diffusion,

will be presented.

Rydzyk M, Wypych A, Szpotkowski K, Kozak M, Jurga S, Gao H, Cho HY, Matyjaszewski K.

5520 Rydzyk M, Wypych A,

Głowinkowski S, Jurga S, Radosz M, Journal of 5on-, 2010; 356, 582-588


Quadrupolar Metal �MR of Oxide Materials Including Catalysts

Olga B. Lapina1Boreskov Institute of Catalysis, RAS, Pr. Lavrent’eva 5, Novosibirsk, 630090, RussiaE-mail: [email protected] Institute for Molecular Sciences, National Research Council CanadOttawa, ON, K1A 0R6, CanadaE-mail: Victor.Terskikh@nrc

1. Abstract In this lecture, we are going to

methodology and recent applications of quadrupolar metal solid-state NMR spectroscopy in oxide systems with emphasis on materials science and catalysis. Three typical quadrupolar metal nuclei, 51V, 93Nb, and 95

in detail to illustrate the complex interplay between quadrupolar and chemical shielding interactions in oxides. In the first part, a systematic overview is given of the metal coordination environments in oxides and their corresponding NMR parameters. The importance of quantum chemical calculations in correlating experimental NMR results with a molecular-level oxide structure is highlighted. In the second part, we present examples of quadrupolar metal NMR in materials science, including paramagnetic oxide systems, layered materials, ferroelectrics, silicates, and glasses. The final section is dedicated to the latest applications of NMR in heterogeneous oxide catalysis.

2. Introduction The ubiquitous nature of metal oxides is only amplified

by their presence in all aspects of our everyday lives. oxides are perhaps the most important players in materials science and not the least in heterogeneous catalysis. The local structure is known to be a key factor determining properties of many materials including activity and selectivity of heterogeneous catalysts. Among advanced tools in the arsenal of modern chemists, nuclear magnetic resonance spectroscopy is one of the most important, owing to its sensitivity to the local molecular structure and interactions between molecules. The use of NMR is beneficial in studying disordered systems and dynamic processes.

The greater availability of modern highspectrometers and the continuing development ofnarrowing and sensitivity-improving techniquesrecent years dramatically expanded the rangeNMR applications, including those incatalysis. This allowed researchers to systematic investigation of the nuclei of different elements that make up the catalysts as well as to examine in more detail the surface centers of catalysts and adsorbed molecules. High-resolution NMR spectroscopy of solids greatly benefits from the development of magicspinning (MAS) at very high spinning speeds, up to 70 kHz,



Lapina1 and Victor V. Terskikh2

oreskov Institute of Catalysis, RAS, Pr. Lavrent’eva 5, Novosibirsk, 630090, [email protected]

Steacie Institute for Molecular Sciences, National Research Council CanadOttawa, ON, K1A 0R6, Canada

[email protected]

are going to review the basic methodology and recent applications of quadrupolar metal

state NMR spectroscopy in oxide systems with emphasis on materials science and catalysis. Three typical

95Mo, are discussed in detail to illustrate the complex interplay between quadrupolar and chemical shielding interactions in oxides. In the first part, a systematic overview is given of the metal coordination environments in oxides and their

ers. The importance of quantum chemical calculations in correlating experimental

level oxide structure is highlighted. In the second part, we present examples of quadrupolar metal NMR in materials science, including

c oxide systems, layered materials, ferroelectrics, silicates, and glasses. The final section is

latest applications of NMR in

nature of metal oxides is only amplified presence in all aspects of our everyday lives. Metal

oxides are perhaps the most important players in materials science and not the least in heterogeneous catalysis. The local structure is known to be a key factor determining

ncluding activity and selectivity of heterogeneous catalysts. Among the many

in the arsenal of modern chemists, nuclear magnetic resonance spectroscopy is one of the most important, owing to its sensitivity to the local molecular

nd interactions between molecules. The use of NMR is beneficial in studying disordered systems and

The greater availability of modern high-field NMR spectrometers and the continuing development of line-

techniques have in recent years dramatically expanded the range of solid-state NMR applications, including those in heterogeneous

move to a more systematic investigation of the nuclei of different elements

well as to examine in more of catalysts and adsorbed

NMR spectroscopy of solids the development of magic-angle

very high spinning speeds, up to 70 kHz,

and various line-narrowing techniques, which open up fundamentally new possibilities in the study of heterogeneous catalysis.

Considering the extremely wide adaptation ofNMR in modern catalytic research, itreview all the aspects in one lecturelecture is to tell about generalmetal NMR, as it pertains to the subject, and to outline the main challenges and problems that still exist. For this, we have chosen three important metal nuclei,95Mo, fully illustrating the research methodology,be further expanded to other quadrupThe choice of these three nucleiproperties, typical among other quadrupolar metals, demonstrating a complex interplay between quadrupolar and chemical shielding interactions, which strongly depend on the coordination environments of the nucleus. Vanadium,niobium, and molybdenum are also some of the mostimportant transition elements in catalysis

Of the three nuclei discussed,most explored field in solid-state quadrupolar NMR of heterogeneous catalysis, not only because of the favorable NMR properties of 51V but also because of the signiof vanadium-based catalytic systems in the chemicalindustry. Owing to the larger nuclear quadrupole moment of93Nb, the niobium solid-state NMR is more challengingsteadily gaining in popularity as more highspectrometers become available for routine research. The last example, 95Mo NMR, has recentlypotential research tool in heterogeneousMolybdenum-95 NMR applications in thehampered by a very low resonance frequency even at ultrahigh magnetic fields. However,of 95Mo NMR in solids show its to further the progress in this field

This lecture is based on the article published in [1].

Acknowledgements This work is partly supported by the Russian Foundation

of Basic Research (grant № 10-03

References [1] Olga B.Lapina, Victor V.Terskikh,

NMR of Oxide Materials Including CatalystsEncyclopedia of Magnetic Resonance

and R.E. Wasylishen, John Wileyp. DOI: 10.1002/9780470034590.emrstm1224


oreskov Institute of Catalysis, RAS, Pr. Lavrent’eva 5, Novosibirsk, 630090, Russia

Steacie Institute for Molecular Sciences, National Research Council Canada,

narrowing techniques, which open up fundamentally new possibilities in the study of

Considering the extremely wide adaptation of solid-state NMR in modern catalytic research, it is impossible to

in one lecture. The purpose of this about general approaches in quadrupolar

to the subject, and to outline the and problems that still exist. For this, we

chosen three important metal nuclei, 51V, 93Nb, and Mo, fully illustrating the research methodology, which can

be further expanded to other quadrupolar nuclei of interest. The choice of these three nuclei is due to their nuclear

other quadrupolar metals, interplay between quadrupolar and

shielding interactions, which strongly depend on ordination environments of the nucleus. Vanadium,

niobium, and molybdenum are also some of the most ransition elements in catalysis.

Of the three nuclei discussed, 51V NMR is perhaps the state quadrupolar NMR of

heterogeneous catalysis, not only because of the favorable V but also because of the significance

based catalytic systems in the chemical to the larger nuclear quadrupole moment of

state NMR is more challenging but steadily gaining in popularity as more high-field NMR spectrometers become available for routine research. The

Mo NMR, has recently appeared as a potential research tool in heterogeneous catalysis.

95 NMR applications in the solid state are hampered by a very low resonance frequency even at

fields. However, several recent examples its great potential and will help field.

This lecture is based on the article published in [1].

This work is partly supported by the Russian Foundation 03-00667-a).

V.Terskikh, Quadrupolar Metal NMR of Oxide Materials Including Catalysts, in Encyclopedia of Magnetic Resonance, eds. R.K. Harris

John Wiley&Sons, Ltd., 2011, 21 DOI: 10.1002/9780470034590.emrstm1224

The Secret of the Maya Blue. �MR in Archaeology

E. Lima1, A. Guzmán1Inst. Investigaciones en Materiales, Univ. Nac. Autónoma, México D. F., Mexico2Instituto Politécnico Nacional 3Universidad Autónoma Metropolitan4Université Pierre et Marie Curie and ESPCI, LPEM, 75231 Paris cedex 05, FranceE-mail: [email protected]

1. Introduction The famous pre-Columbian Maya Blue (MB) pigment

has been the subject of much research aimed at explaining the extreme stability of this hybrid organic/inorganic pigment present in mural paintings in Mayan Temples in the Yucatan, in many ceramic objects, in the large monolith, Tlaltecuhtli, representing the Aztec Earth god, etc.

In the MB pigment, the host is palygorskite clay (with tunnels having a 3.7 x 6.4 Å cross-section for the hydrated form), and the guest is the indigo molecule (CDepending on the various authors, the indigo lies in grooves at the surface of the clay fibers, inside the tunnels where it replaces the zeolitic water, or stays at the tunnel entrances. For this reason this research is focused on the mechanism of MB preparation and the final location of the indigo.

The dye was added to clay in three ways: i)Mayan technique, where palygorskite is mixed with an aqueous extract of leaves of the añil plant; ii) the synthetic method where the clay is mixed with synthetic indigo, either finely ground and heated to 180 °C or dissolved in DMSO, since it is not soluble in water. The treatment in an Accelerated Weathering Tester to simulate ageing corresponds to 10 years in real time.

Figure 1. Añil (Indigofera Suffructicosa) plant, containing

the indigo dye used to prepare Maya blue


of the Maya Blue. �MR in Archaeology

Guzmán2, M. Vera3, J.-L. Rivera1, J. Fraissard

Inst. Investigaciones en Materiales, Univ. Nac. Autónoma, México D. F., MexicoInstituto Politécnico Nacional - ESIQIE, Zacatenco, 07738 México D.F., MexicoUniversidad Autónoma Metropolitana, Iztapalapa, CP 09340, México D.F., MexicoUniversité Pierre et Marie Curie and ESPCI, LPEM, 75231 Paris cedex 05, Francemail: [email protected]

Columbian Maya Blue (MB) pigment esearch aimed at explaining

the extreme stability of this hybrid organic/inorganic pigment present in mural paintings in Mayan Temples in the Yucatan, in many ceramic objects, in the large monolith,

representing the Aztec Earth god, etc. he MB pigment, the host is palygorskite clay (with

section for the hydrated form), and the guest is the indigo molecule (C6H10N2O2). Depending on the various authors, the indigo lies in grooves

fibers, inside the tunnels where it replaces the zeolitic water, or stays at the tunnel entrances. For this reason this research is focused on the mechanism of MB preparation and the final location of the indigo.

The dye was added to clay in three ways: i) the traditional Mayan technique, where palygorskite is mixed with an aqueous extract of leaves of the añil plant; ii) the synthetic method where the clay is mixed with synthetic indigo, either finely ground and heated to 180 °C or dissolved in DMSO,

it is not soluble in water. The treatment in an Accelerated Weathering Tester to simulate ageing

Figure 1. Añil (Indigofera Suffructicosa) plant, containing

the indigo dye used to prepare Maya blue-like pigments

2. Experimental resultsNMR spectra of 29Si, 27Al,

xenon 129Xe show that, after ageing, only the sample prepared by the traditional technique contains indigo inside the palygorskite tunnels. With samples prepared from synthetic indigo, an interaction between indigo and the external surface of the clay is favoured.

Acid treatment of samples after ageing provides evidence for the chemical resistance of pigments prepared by the traditional technique as compared to the synthetic samples. This result agrees with the distribution of dye in the samples, as elucidated by NMR.

The indigo dye from añil leaves is watertherefore, it must be deposited on the external surface of the clay without diffusion into the pores, according to thon the synthetic samples. NMR spectra prove that some smaller precursors of indigo from añil leaves, such as indoxyl, are adsorbed on the clay surface and diffuse more easily into the pores, where they are ultimately oxidized by atmospheric oxygen to provide indigo. have resolved the mystery regarding the preparation of MB and its final state.

3. Conclusion

These results may have resolved regarding the preparation of MB and its final state, as it is shown in Figure 2.

Figure 2. Adsorption of indoxyl in palygorskite channels

giving indigo after ageing

References

[1] E. Lima, A. Guzmán, M. Vera, J. Rivera, J. Fraissard, J. Phys. Chem., and references


of the Maya Blue. �MR in Archaeology

Fraissard4

Inst. Investigaciones en Materiales, Univ. Nac. Autónoma, México D. F., Mexico ESIQIE, Zacatenco, 07738 México D.F., Mexico

a, Iztapalapa, CP 09340, México D.F., Mexico Université Pierre et Marie Curie and ESPCI, LPEM, 75231 Paris cedex 05, France

Experimental results Al, 13C and mainly adsorbed

Xe show that, after ageing, only the sample by the traditional technique contains indigo inside

the palygorskite tunnels. With samples prepared from , an interaction between indigo and the

external surface of the clay is favoured. Acid treatment of samples after ageing provides evidence

for the chemical resistance of pigments prepared by the traditional technique as compared to the synthetic samples. This result agrees with the distribution of dye in the samples, as elucidated by NMR.

The indigo dye from añil leaves is water-insoluble; therefore, it must be deposited on the external surface of the clay without diffusion into the pores, according to the results on the synthetic samples. NMR spectra prove that some smaller precursors of indigo from añil leaves, such as indoxyl, are adsorbed on the clay surface and diffuse more easily into the pores, where they are ultimately oxidized by

n to provide indigo. These results may the mystery regarding the preparation of MB

These results may have resolved the mystery regarding the preparation of MB and its final state, as it is

Figure 2. Adsorption of indoxyl in palygorskite channels

giving indigo after ageing

E. Lima, A. Guzmán, M. Vera, J. Rivera, J. Fraissard, J. Chem., and references therein, in press.


�MR study of ionic liquid

non-equilibrium

Vytautas Klimavici1Faculty of PhysicsE-mail: [email protected] of Bioorganic Chemistry, Polish Academy of Sciences, PLE-mail: [email protected]

1. Introduction Technological developments of so call

materials are continuously boosting over the whole past decade [1, 2]. In certain cases some gels and ionogels can be considered behaving as ‘smart’ materials. Recently it was demonstrated that a lyotropic liquid-crystalline be formed at certain conditions by interactions between long chain imidazolium-based room-temperature ionic liquid(RTILs) and water [3, 4]. The purpose of present work was to study the temperature and composition effects on the phase transitions, hydrogen bonding with H/D exchange, non-equilibrium phenomenon and relaxation in somimidazolium-based RTILs, namely – the 1imidazolium bromide- and chloride ([C[C10mim][Cl]) in aqueous (H2O/D2O) solutions applying 13C, 35Cl and 81Br NMR spectroscopy.

2. Experimental and DFT calculationsNMR experiments were carried out on

AVANCEII/400 and BRUKER AVANCEspectrometers operating at 400/500, 100/125, 39/49 and 108/135 MHz for 1H, 13C, 35Cl and 81Br, respectively,5 mm BBO probe-head. The temperature in a probe over the range of 288–368 K was controlled with an accuracy of ±0.5 K. The signal of DSS in D2O solution capillary insert was used as the reference and then converted in δ-scale respect TMS. The D2O and DMSOcapillary insert were used for locking.

In order to obtain additional insight into the experimental observations, the quantum chemistry DFT calculations and 13C magnetic shielding tensors were performedgeometry optimization in the ground state was performedand the magnetic shielding tensors (σσσσ) have been calculated in vacuo applying the modified hybrid functional of Perdew, Burke and Ernzerhof (PBE1PBE) with the 6311++G(2d, 2p) basis set. Gaussian 03 used for all calculations. The principal components of the and 13C chemical shift tensors (δj, i, jobtained subtracting those of σσσσ from the isotropic part of magnetic shielding tensor of TMS i. e. δδδδand used to construct other parameters: shift δ iso = (1/3) (δXX + δYY + δZZ), chemical shift anisotropy (CSA): δ aniso = δZZ – δ

iso and biaxiality (asymmetry)η = (δYY – δXX) / δ

aniso.


�MR study of ionic liquids: lyotropic phases, hydrogen bonding,

equilibrium- and relaxation effects

Klimavicius1, Zofia Gdaniec2, Vytautas Balevicius

Physics, Vilnius University, LT-10222 Vilnius, Lithuania [email protected]

Institute of Bioorganic Chemistry, Polish Academy of Sciences, PL-61704 Poznan, [email protected]

Technological developments of so called ‘smart’ materials are continuously boosting over the whole past

]. In certain cases some gels and ionogels can be considered behaving as ‘smart’ materials. Recently it was

crystalline (LC) gel can ed at certain conditions by interactions between long

temperature ionic liquids and water [3, 4]. The purpose of present work was

to study the temperature and composition effects on the ng with H/D exchange,

relaxation in some of the 1-decyl-3-methyl-

([C10mim][Br] and solutions applying 1H,

and DFT calculations xperiments were carried out on BRUKER

BRUKER AVANCEIII/500 NMR spectrometers operating at 400/500, 100/125, 39/49 and

, respectively, using head. The temperature in a probe over the K was controlled with an accuracy of

O solution and DMSO) in capillary insert was used as the reference and then converted

and DMSO in the same

In order to obtain additional insight into the experimental observations, the quantum chemistry DFT calculations 1H

C magnetic shielding tensors were performed. The full imization in the ground state was performed

) have been calculated applying the modified hybrid functional of Perdew,

Burke and Ernzerhof (PBE1PBE) with the 6–) basis set. Gaussian 03 software suite was

used for all calculations. The principal components of the 1H i, j = X, Y, Z) were the isotropic part of δδδδ = 1 σiso(TMS) – σσσσ : isotropic chemical

hemical shift anisotropy biaxiality (asymmetry)

3. Main results 1. The difference between lyotropic LC ionogel

and the solid one has been revealed, the motion of RTIL and water molecules in the late one was found to be dynamically segregated. This also causes very rates via H-bonds between RTILs and Dobserved anisotropic 13C NMR signal shape for the terminal –CH3 group points to the difference between LC ionogel and the lamellar phases, where usually decreasing order parameter moving along hydrocarbon chain from the polar head is observed. The supramolecular structuressome higher micellar RTIL aggregates are expected.

2. The complex shaped 1H NMR signal ofobserved after it was mixed with waterthe contour transformed into Voigt ((G) contribution as dominant and started to evolve towards Lorentz-shaped (L) contour. Relative profile was proposed as the measure of nonequilibrium aggregation in mesoscopic/supramolecular scale. The equilibration kinetics was monitored by time dependencthe half-widths G/L with waiting time up to 2‘nonequilibrium’ covers only certain degrees of freedom of the guest (RTIL) molecules, whereas the matrix, i.e. the hydrogen-bonded network of water, is equilibrated.

3. 35Cl and 81Br NMR spin-lattice relaxation times as well as viscosity coefficients have been measured for both neat RTILs. Based on measured relaxation time values, respectively, 206 and 23 as both RTILs viscosity coefficientswas found that 35Cl effective quadrupχeff is one order lower than that for16.0 MHz, respectively.

References [1] D. Bankmann, R. Giernoth.

Spectroscopy 51, 63–990 (2007)[2] M. A. Firestone, P. Thiyagarajan, D. M. Tiede.

Langmuir 14, 4688–4698 (1998).[3] M. A. Firestone, J. A. Dzelawa, P. Zapol, L. A. Curtiss,

S. Seifert, M.L. Dietz. – (2002).

[4] T. Inoue, B. Dong, L. Q. Zheng578–581 (2007).

[5] V. Balevicius, Z. Gdaniec, V. J. Plavec. – Chemical Physics Letters(2011).

ydrogen bonding,

Balevicius1

61704 Poznan, Poland

The difference between lyotropic LC ionogel phase and the solid one has been revealed, the motion of RTIL and water molecules in the late one was found to be dynamically

This also causes very different H/D exchange bonds between RTILs and D2O molecules. The

C NMR signal shape for the terminal group points to the difference between LC ionogel and

the lamellar phases, where usually decreasing order parameter moving along hydrocarbon chain from the polar head is observed. The supramolecular structures, similar to some higher micellar RTIL aggregates are expected.

H NMR signal of RTIL has been observed after it was mixed with water [5]. Within minutes the contour transformed into Voigt (V) profile with Gauss

minant and started to evolve towards ) contour. Relative G/L contribution in V-

profile was proposed as the measure of nonequilibrium aggregation in mesoscopic/supramolecular scale. The equilibration kinetics was monitored by time dependence of

with waiting time up to 2-

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