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ЖУРНАЛЫ // Успехи химии // Архив

Усп. хим., 2021, том 90, выпуск 2, страницы 265–279 (Mi rcr4333)

Эта публикация цитируется в 14 статьях

Recent advances in computational liquid-phase $^{77}$Se NMR

Leonid B. Krivdinab

a A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk
b Angarsk State Technical University

Аннотация: This review aims to highlight significant progress in the calculation of $^{77}$Se NMR chemical shifts and spin–spin coupling constants involving selenium substantiated with a vast amount of experimental data. The material is arranged in two basic sections: the first one dealing with the calculation of $^{77}$Se NMR chemical shifts and the second one dealing with the computation of spin–spin coupling constants involving $^{77}$Se nucleus, namely $^{77}$Se–$^1$H, $^{77}$Se–$^{13}$C and $^{77}$Se–$^{77}$Se together with some more exotic types of couplings, $^{77}$Se–$^{15}$N, $^{77}$Se–$^{19}$F, $^{77}$Se–$^{29}$Si and $^{77}$Se–$^{31}$P. A special attention is focused on the stereoelectronic effects involving selenium atom and their manifestation in the $^{77}$Se NMR spectra of organoselenium compounds studied with the aid of the modern calculation of $^{77}$Se NMR parametres in combination with experimental results.
Bibliography — 114 references.

Поступила в редакцию: 17.04.2020

Язык публикации: английский

DOI: 10.1070/RCR4960


 Англоязычная версия: Russian Chemical Reviews, 2021, 90:2, 265–279

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