Computational liquid-phase and solid-state 29Si NMR

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 o...

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Bibliographic Details
Published in:Russian chemical reviews 2020-04, Vol.89 (4), p.449-468
Main Author: Krivdin, Leonid B.
Format: Article
Language:English
Subjects:
Couplings
Liquid phases
NMR
Nuclear magnetic resonance
Solid state
Online Access:Get full text
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Summary: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 more 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. The bibliography includes 93 references.
ISSN:0036-021X
1468-4837
DOI:10.1070/RCR4927