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

Abstract

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.

Authors:
 [1];  [2];  [3];  [4]
  1. A. V. Nikolaevs Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk (Russian Federation)
  2. (Russian Federation)
  3. Voevodsky Institute of Chemical Kinetics and Combustion, Siberian Branch of the Russian Academy of Sciences, Insitutskaya 3, 630090 Novosibirsk (Russian Federation)
  4. Institute of Cytology and Genetics of the Siberian Branch of the Russian Academy of Sciences, Av. Lavrentyev 10, 630090 Novosibirsk (Russian Federation)
Publication Date:
OSTI Identifier:
22679025
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 145; Journal Issue: 5; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COMPUTERIZED SIMULATION; NMR SPECTRA; NUCLEAR MAGNETIC RESONANCE; TIME DEPENDENCE

Citation Formats

Babailov, S. P., E-mail: babajlov@niic.nsc.ru, National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk 634050, Purtov, P. A., and Fomin, E. S. Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application. United States: N. p., 2016. Web. doi:10.1063/1.4959592.
Babailov, S. P., E-mail: babajlov@niic.nsc.ru, National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk 634050, Purtov, P. A., & Fomin, E. S. Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application. United States. doi:10.1063/1.4959592.
Babailov, S. P., E-mail: babajlov@niic.nsc.ru, National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk 634050, Purtov, P. A., and Fomin, E. S. Sun . "Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application". United States. doi:10.1063/1.4959592.
@article{osti_22679025,
title = {Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application},
author = {Babailov, S. P., E-mail: babajlov@niic.nsc.ru and National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk 634050 and Purtov, P. A. and Fomin, E. S.},
abstractNote = {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.},
doi = {10.1063/1.4959592},
journal = {Journal of Chemical Physics},
number = 5,
volume = 145,
place = {United States},
year = {Sun Aug 07 00:00:00 EDT 2016},
month = {Sun Aug 07 00:00:00 EDT 2016}
}