Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application

Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application Full article

Journal

Journal of Chemical Physics
ISSN: 1520-9032 , E-ISSN: 1089-7690

Output data

Year: 2016, Volume: 145, Number: 5, Article number : 054201, Pages count : DOI: 10.1063/1.4959592

Authors

Babailov S.P. ^1,2 , Purtov P.A. ³ , Fomin E.S. ⁴

Affiliations

1	Russian Academy of Sciences 1 A. V. Nikolaevs Institute of Inorganic Chemistry, Siberian Branch, , Novosibirsk, Russian Federation
2	National Research Tomsk Polytechnic University 2 , Lenin Avenue 30, Tomsk 634050, Russia
3	Siberian Branch of the Russian Academy of Sciences 3 Voevodsky Institute of Chemical Kinetics and Combustion, , Insitutskaya 3, 630090 Novosibirsk, Russian Federation
4	Institute of Cytology and Genetics of the Siberian Branch of the Russian Academy of Sciences 4 , Av. Lavrentyev 10, 630090 Novosibirsk, Russia

An expression has been derived for the time dependence of the NMR line shape for systems with multi-site chemical exchange in the absence of spin-spin coupling, in a zero saturation limit. The dynamics of variation of the NMR line shape with time is considered in detail for the case of two-site chemical exchange. Mathematical programs have been designed for numerical simulation of the NMR spectra of chemical exchange systems. The analytical expressions obtained are useful for NMR line shape simulations for systems with photoinduced chemical exchange.

Babailov S.P. , Purtov P.A. , Fomin E.S.
Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application
Journal of Chemical Physics. 2016. V.145. N5. 054201 . DOI: 10.1063/1.4959592 WOS Scopus РИНЦ OpenAlex

Published print:

Aug 1, 2016

Web of science:	WOS:000381680000023
Scopus:	2-s2.0-84980328134
Elibrary:	27121216
OpenAlex:	W2489668256

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Scopus	3
OpenAlex	3
Web of science	3