Conformational energy differences and barriers to rotation in fluoroethanes
- 1 January 1974
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 5,p. 180-181
- https://doi.org/10.1039/c39740000180
Abstract
Molecular mechanics calculations when combined with a non-tetrahedral but standardised geometry are shown to give a quantitative explanation of the observed barrier heights and rotamer energies of all the fluoroethanes; in particular the ‘attraction’ of the two fluorines in 1,2-difluoroethane can be explained on this basis without the necessity for any additional mechanisms.Keywords
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