This article is cited in 20 papers

Computational liquid-phase and solid-state $^{29}\mathrm{Si}$ NMR

Leonid B. Krivdin<sup>ab

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

Abstract: This review focuses on the computational aspects of $^{29}\mathrm{Si}$ NMR chemical shifts and spin-spin coupling constants involving the $^{29}\mathrm{Si}$ 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 $^{29}\mathrm{Si}$ 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 $^{29}\mathrm{Si}$ – $^1\mathrm{H}$ and $^{29}\mathrm{Si}$ – $^{13}\mathrm{C}$ 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 $^{29}\mathrm{Si}$ NMR.
Bibliography — 93 references.

Received: 25.10.2019

Language: English

DOI: 10.1070/RCR4927

 English version: Russian Chemical Reviews, 2020, 89:4, 449–468

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