KFU. Card publication. 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

Form of presentation

Articles in international journals and collections

Year of publication

2015

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Authors, employees of KFU

Bashirov Ferid Israfilovich, author

Other authors

Gaysin Nail Kivamovich, author

Bibliographic description in the original language

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

Annotation

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.

Keywords

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

The name of the journal

INTERNATIONAL JOURNAL OF SPECTROSCOPY

URL

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

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

https://repository.kpfu.ru/eng/?p_id=123125&p_lang=2

Resource files

File name	Size (MB)	Format
701386.pdf	1,87	pdf	show / download

Full metadata record

Field DC	Value	Language
dc.contributor.author	Bashirov Ferid Israfilovich	ru_RU
dc.contributor.author	Gaysin Nail Kivamovich	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/eng/?p_id=123125&p_lang=2	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	Articles in international journals and collections	ru_RU