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This article is cited in 15 scientific papers (total in 15 papers)
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
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
Citation:
Leonid B. Krivdin, “Recent advances in computational liquid-phase $^{77}$Se NMR”, Usp. Khim., 90:2 (2021), 265–279; Russian Chem. Reviews, 90:2 (2021), 265–279
Linking options:
https://www.mathnet.ru/eng/rcr4333https://doi.org/10.1070/RCR4960 https://www.mathnet.ru/eng/rcr/v90/i2/p265
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