Molecular orbital theory of carbon–fluorine...

Molecular orbital theory of carbon–fluorine nuclear spin coupling constants: application to fluorinated methanes

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.

Authors

Blizzard AC; Santry DP

Journal

Journal of the Chemical Society D Chemical Communications, Vol. 0, No. 17, pp. 1085–1086

Publisher

Royal Society of Chemistry (RSC)

Publication Date

January 1, 1970

DOI

10.1039/c29700001085

ISSN

0577-6171

Associated Experts

David Peter Santry

Professor Emeritus, Faculty of Science

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Labels

Fields of Research (FoR)

51 Physical Sciences 34 Chemical Sciences 3406 Physical Chemistry 3407 Theoretical and Computational Chemistry

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