КФУ. Карточка публикации. Using the Intramolecular Contribution to the Second Moment of NMR Line Shape to Detect Site Symmetry Breakdown in Molecular Crystals

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USING THE INTRAMOLECULAR CONTRIBUTION TO THE SECOND MOMENT OF NMR LINE SHAPE TO DETECT SITE SYMMETRY BREAKDOWN IN MOLECULAR CRYSTALS

Форма представления

Статьи в зарубежных журналах и сборниках

Год публикации

2015

Язык

английский

Авторы, сотрудники КФУ

Баширов Фэрид Исрафилович, автор

Другие авторы

Гайсин Наиль Кивамович, автор

Библиографическое описание на языке оригинала

Ferid Bashirov and Nail Gaisin, “Using the Intramolecular Contribution to the Second Moment of NMR Line Shape to Detect Site Symmetry Breakdown in Molecular Crystals,” International Journal of Spectroscopy, vol. 2015, Article ID 701386, 6 pages, 2015. doi:10.1155/2015/701386

Аннотация

A new approach to simulating the intramolecular contribution to the anisotropic secondmoment of NMR spectral lines broadened by magnetic dipole-dipole interaction of nuclei is suggested. The extended angular jump model is used by approximating the local hindered molecular motion (HMM). The theoretical result allow describing the site symmetry distortion by new experimental parameters 𝑞𝛼, the dynamic weights of irreducible representations of the HMM crystallographic point symmetry group. The application of the theory to describing the intraionic second moment of the proton NMR spectral line in monocrystalline ammonium chloride proves the tetragonal distorted tetrahedral site symmetry of ammonium ions.

Ключевые слова

Second moment, line shape, hindered molecular motion, structure distortion, dipol-dipol interaction

Название журнала

INTERNATIONAL JOURNAL OF SPECTROSCOPY

URL

http://dx.doi.org/10.1155/2015/701386

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https://repository.kpfu.ru/?p_id=123125

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Полная запись метаданных

Поле DC	Значение	Язык
dc.contributor.author	Баширов Фэрид Исрафилович	ru_RU
dc.contributor.author	Гайсин Наиль Кивамович	ru_RU
dc.date.accessioned	2015-01-01T00:00:00Z	ru_RU
dc.date.available	2015-01-01T00:00:00Z	ru_RU
dc.date.issued	2015	ru_RU
dc.identifier.citation	Ferid Bashirov and Nail Gaisin, “Using the Intramolecular Contribution to the Second Moment of NMR Line Shape to Detect Site Symmetry Breakdown in Molecular Crystals,” International Journal of Spectroscopy, vol. 2015, Article ID 701386, 6 pages, 2015. doi:10.1155/2015/701386	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/?p_id=123125	ru_RU
dc.description.abstract	INTERNATIONAL JOURNAL OF SPECTROSCOPY	ru_RU
dc.description.abstract	A new approach to simulating the intramolecular contribution to the anisotropic secondmoment of NMR spectral lines broadened by magnetic dipole-dipole interaction of nuclei is suggested. The extended angular jump model is used by approximating the local hindered molecular motion (HMM). The theoretical result allow describing the site symmetry distortion by new experimental parameters 𝑞𝛼, the dynamic weights of irreducible representations of the HMM crystallographic point symmetry group. The application of the theory to describing the intraionic second moment of the proton NMR spectral line in monocrystalline ammonium chloride proves the tetragonal distorted tetrahedral site symmetry of ammonium ions.	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	Second moment	ru_RU
dc.subject	line shape	ru_RU
dc.subject	hindered molecular motion	ru_RU
dc.subject	structure distortion	ru_RU
dc.subject	dipol-dipol interaction	ru_RU
dc.title	Using the Intramolecular Contribution to the Second Moment of NMR Line Shape to Detect Site Symmetry Breakdown in Molecular Crystals	ru_RU
dc.type	Статьи в зарубежных журналах и сборниках	ru_RU