Leonid B. Krivdin, “Recent advances in computational liquid-phase <nobr>$^{77}$</nobr>Se NMR”, Usp. Khim., 2021, Volume 90, Issue 2,Pages <nobr>265

This article is cited in 17 papers

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

Leonid B. Krivdin^ab

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

Abstract: 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.
The bibliography includes 114 references.

Received: 17.04.2020

Language: English

DOI: 10.1070/RCR4960