Dynamic NMR under nonstationary conditions

Theoretical model, numerical calculation, and potential of application

S. P. Babailov, P. A. Purtov, E. S. Fomin

    Research output: Contribution to journalArticle

    1 Citation (Scopus)

    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.

    Original languageEnglish
    Article number054201
    JournalJournal of Chemical Physics
    Volume145
    Issue number5
    DOIs
    Publication statusPublished - 7 Aug 2016

    Fingerprint

    Nuclear magnetic resonance
    line shape
    nuclear magnetic resonance
    spin-spin coupling
    time dependence
    simulation
    saturation
    Computer simulation

    ASJC Scopus subject areas

    • Physics and Astronomy(all)
    • Physical and Theoretical Chemistry

    Cite this

    Dynamic NMR under nonstationary conditions : Theoretical model, numerical calculation, and potential of application. / Babailov, S. P.; Purtov, P. A.; Fomin, E. S.

    In: Journal of Chemical Physics, Vol. 145, No. 5, 054201, 07.08.2016.

    Research output: Contribution to journalArticle

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