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Computational liquid-phase and solid-state 29Si NMR

Leonid Borisovich Krivdin 1, 2
Leonid Borisovich Krivdin
1 A.E.Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences
2 Angarsk State Technical University
10.1070/RCR4927
Published 30 November 2019
Review , RCR4927, Volume 89, Issue 4, 449-468
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Krivdin L. B. Computational liquid-phase and solid-state 29Si NMR // Russian Chemical Reviews. 2019. Vol. 89. No. 4. pp. 449-468.
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Krivdin L. B. Computational liquid-phase and solid-state 29Si NMR // Russian Chemical Reviews. 2019. Vol. 89. No. 4. pp. 449-468.
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TY - JOUR
DO - 10.1070/RCR4927
UR - https://rcr.colab.ws/publications/10.1070/RCR4927
TI - Computational liquid-phase and solid-state 29Si NMR
T2 - Russian Chemical Reviews
AU - Krivdin, Leonid Borisovich
PY - 2019
DA - 2019/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 449-468
IS - 4
VL - 89
ER -
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@article{2019_Krivdin,
author = {Leonid Borisovich Krivdin},
title = {Computational liquid-phase and solid-state 29Si NMR},
journal = {Russian Chemical Reviews},
year = {2019},
volume = {89},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RCR4927},
number = {4},
pages = {449--468},
doi = {10.1070/RCR4927}
}
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Krivdin, Leonid Borisovich. “Computational liquid-phase and solid-state 29Si NMR.” Russian Chemical Reviews, vol. 89, no. 4, Nov. 2019, pp. 449-468. https://rcr.colab.ws/publications/10.1070/RCR4927.
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Abstract

This review focuses on the computational aspects of 29Si NMR chemical shifts and spin-spin coupling constants involving the 29Si nucleus. It concentrates on the electronic and stereochemical effects manifesting in these parameters, calculated at different levels of theory with a special emphasis on their practical applications. For 29Si NMR chemical shifts, a good deal of interest is focused on the less common solid state studies, in addition to much popular liquid state data. For spin-spin coupling constants, the main interest is concentrated on the mostly common 29Si - 1H and 29Si - 13C couplings. The review is written in memory of the Full Member of the Russian Academy of Sciences, Professor Mikhail G. Voronkov in view of his invaluable contribution to the field of organosilicon chemistry and 29Si NMR.

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