KFU. Card publication. The dynamics of the plastically crystalline phase of cyanoadamantane revisited by NMR line shape analysis and field-cycling relaxometry

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THE DYNAMICS OF THE PLASTICALLY CRYSTALLINE PHASE OF CYANOADAMANTANE REVISITED BY NMR LINE SHAPE ANALYSIS AND FIELD-CYCLING RELAXOMETRY

Form of presentation

Articles in international journals and collections

Year of publication

2019

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Authors, employees of KFU

Fatkullin Nail Fidaievich, author

Bibliographic description in the original language

Flämig M, Fatkullin N, Rössler E.A., The dynamics of the plastically crystalline phase of cyanoadamantane revisited by NMR line shape analysis and field-cycling relaxometry//Journal of Chemical Physics. - 2019. - Vol.151, Is.22. - Art. � 224507.

Annotation

The dynamics of cyanoadamantane (CN-ADA) in its plastically crystalline phase encompasses three processes: overall tumbling of the rigidmolecule, rotation around the molecular symmetry axis, and vacancy diffusion. This makes CN-ADA a prototypical case to be studied byfield-cycling as well as by conventional NMR relaxometry. Data are collected from 430 K down to about 4 K and frequencies in the range of10 kHz–56 MHz are covered. The overall tumbling is interpreted as a cooperative jump process preceding along the orthogonal axis of thecubic lattice and exhibiting a temperature independent non-Lorentzian spectral density. Consequently, a master curve is constructed, whichyields model-independent correlation times, which agree well with those reported in the literature. It can be interpolated by a Cole-Davidsonfunction with a width parameterβCD= 0.83. The uniaxial rotation persisting in the glassy crystal (T

Keywords

dynamics of the plastically crystalline phase of cyanoadamantane revisited by NMR line shape analysis and field-cycling relaxometry

The name of the journal

Journal of Chemical Physics

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85076571465&doi=10.1063%2f1.5126953&partnerID=40&md5=e2f5c5a26dc3d7deb5e8f69ab7029f08

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=220166&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Fatkullin Nail Fidaievich	ru_RU
dc.date.accessioned	2019-01-01T00:00:00Z	ru_RU
dc.date.available	2019-01-01T00:00:00Z	ru_RU
dc.date.issued	2019	ru_RU
dc.identifier.citation	Flämig M, Fatkullin N, Rössler E.A., The dynamics of the plastically crystalline phase of cyanoadamantane revisited by NMR line shape analysis and field-cycling relaxometry//Journal of Chemical Physics. - 2019. - Vol.151, Is.22. - Art. � 224507.	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=220166&p_lang=2	ru_RU
dc.description.abstract	Journal of Chemical Physics	ru_RU
dc.description.abstract	The dynamics of cyanoadamantane (CN-ADA) in its plastically crystalline phase encompasses three processes: overall tumbling of the rigidmolecule, rotation around the molecular symmetry axis, and vacancy diffusion. This makes CN-ADA a prototypical case to be studied byfield-cycling as well as by conventional NMR relaxometry. Data are collected from 430 K down to about 4 K and frequencies in the range of10 kHz–56 MHz are covered. The overall tumbling is interpreted as a cooperative jump process preceding along the orthogonal axis of thecubic lattice and exhibiting a temperature independent non-Lorentzian spectral density. Consequently, a master curve is constructed, whichyields model-independent correlation times, which agree well with those reported in the literature. It can be interpolated by a Cole-Davidsonfunction with a width parameterβCD= 0.83. The uniaxial rotation persisting in the glassy crystal (T	ru_RU
dc.language.iso	ru	ru_RU
dc.subject		ru_RU
dc.title	The dynamics of the plastically crystalline phase of cyanoadamantane revisited by NMR line shape analysis and field-cycling relaxometry	ru_RU
dc.type	Articles in international journals and collections	ru_RU