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Computational aspects of 19F 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/RCR4948
Published 30 November 2019
Review , RCR4948, Volume 89, Issue 10, 1040-1073
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Krivdin L. B. Computational aspects of 19F NMR // Russian Chemical Reviews. 2019. Vol. 89. No. 10. pp. 1040-1073.
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Krivdin L. B. Computational aspects of 19F NMR // Russian Chemical Reviews. 2019. Vol. 89. No. 10. pp. 1040-1073.
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TY - JOUR
DO - 10.1070/RCR4948
UR - https://rcr.colab.ws/publications/10.1070/RCR4948
TI - Computational aspects of 19F 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 - 1040-1073
IS - 10
VL - 89
ER -
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@article{2019_Krivdin,
author = {Leonid Borisovich Krivdin},
title = {Computational aspects of 19F 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/RCR4948},
number = {10},
pages = {1040--1073},
doi = {10.1070/RCR4948}
}
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Krivdin, Leonid Borisovich. “Computational aspects of 19F NMR.” Russian Chemical Reviews, vol. 89, no. 10, Nov. 2019, pp. 1040-1073. https://rcr.colab.ws/publications/10.1070/RCR4948.
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Abstract

This review covers most recent advances in computation of 19F NMR chemical shifts and spin--spin coupling constants involving 19F 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 19F 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 19F–1H, 19F–13C and 19F–19F couplings providing marked stereochemical behaviour.

The bibliography includes 149 references.

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