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

Leonid Borisovich Krivdin
1 A. E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, Irkutsk
2 Angarsk State Technical University
Published 30 November 2020
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Krivdin L. B. Recent advances in computational liquid-phase $^{77}$Se NMR // Russian Chemical Reviews. 2020. Vol. 90. No. 2. pp. 265-279.
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Krivdin L. B. Recent advances in computational liquid-phase $^{77}$Se NMR // Russian Chemical Reviews. 2020. Vol. 90. No. 2. pp. 265-279.
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TY - JOUR
DO - 10.1070/RCR4960
UR - https://rcr.colab.ws/publications/10.1070/RCR4960
TI - Recent advances in computational liquid-phase $^{77}$Se NMR
T2 - Russian Chemical Reviews
AU - Krivdin, Leonid Borisovich
PY - 2020
DA - 2020/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 265-279
IS - 2
VL - 90
ER -
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@article{2020_Krivdin,
author = {Leonid Borisovich Krivdin},
title = {Recent advances in computational liquid-phase $^{77}$Se NMR},
journal = {Russian Chemical Reviews},
year = {2020},
volume = {90},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RCR4960},
number = {2},
pages = {265--279},
doi = {10.1070/RCR4960}
}
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Cite this
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Krivdin, Leonid Borisovich. “Recent advances in computational liquid-phase $^{77}$Se NMR.” Russian Chemical Reviews, vol. 90, no. 2, Nov. 2020, pp. 265-279. https://rcr.colab.ws/publications/10.1070/RCR4960.
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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.

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