Molecular orbital theory of carbon–fluorine nuclear spin coupling constants: application to fluorinated methanes
- 1 January 1970
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society D: Chemical Communications
- No. 17,p. 1085-1086
- https://doi.org/10.1039/c29700001085
Abstract
Calculations show that it is necessary to include orbital and spin dipolar terms in addition to the usual Fermi contact term in order to reproduce the observed trend of JCF in the fluorinated methanes.Keywords
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