Leonid B. Krivdin, “Computational aspects of <nobr>$^{19}\mathrm{F}$</nobr> NMR”, Usp. Khim., 2020, Volume 89, Issue 10,Pages <nobr>1040

This article is cited in 32 papers

Computational aspects of $^{19}\mathrm{F}$ NMR

Leonid B. Krivdin^ab

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

Abstract: This review covers most recent advances in computation of $^{19}\mathrm{F}$ NMR chemical shifts and spin–spin coupling constants involving $^{19}\mathrm{F}$ nucleus calculated at different levels of theory. It deals mainly with electronic and stereochemical effects influencing these parameters, with a special emphasis on practical applications of such calculations. For $^{19}\mathrm{F}$ NMR chemical shifts, a good deal of attention is focused on less common solid state studies, in addition to much more popular liquid state data. For spin–spin coupling constants, the main interest is concentrated on the most popular $^{19}\mathrm{F}$–$^1\mathrm{H}$, $^{19}\mathrm{F}$–$^{13}\mathrm{C}$ and $^{19}\mathrm{F}$–$^{19}\mathrm{F}$ couplings providing marked stereochemical behaviour.
The bibliography includes 149 references.

Received: 12.02.2020

Language: English

DOI: 10.1070/RCR4948