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Proceedings of the National Academy of Sciences of the United States of America logoLink to Proceedings of the National Academy of Sciences of the United States of America
. 1970 Dec;67(4):1649–1650. doi: 10.1073/pnas.67.4.1649

Nuclear Magnetic Resonance Spectroscopy. A Stereospecific 3JCF Coupling in the Low-Temperature 13C Nmr Spectrum of 1,1-Difluorocyclohexane*

David Doddrell 1,2, Claude Charrier 1,2, John D Roberts 1,2
PMCID: PMC283406  PMID: 16591888

Abstract

The proton-decoupled 13C nmr spectrum of 1,1-difluorocyclohexane has been examined at room temperature and at -90°C. There are only minor changes in the one-bond and two-bond carbon-fluorine scalar coupling constants at the lower temperature; however, the triplet observed for C-3 (3JCF = 4.7 Hz) collapses to a doublet (3JCF = 9.5 Hz) at -90°C. It is proposed that only the equatorial fluorine is coupled with the C-3 carbon as the result of operation of a back-lobe orbital interaction.

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