КФУ. Карточка публикации. 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

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2019

Язык

английский

Авторы, сотрудники КФУ

Фаткуллин Наиль Фидаиевич, автор

Библиографическое описание на языке оригинала

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.

Аннотация

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

Ключевые слова

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

Название журнала

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

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Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Фаткуллин Наиль Фидаиевич	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/?p_id=220166	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	Статьи в зарубежных журналах и сборниках	ru_RU