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.
R. J. Abraham and P. Loftus, J. Chem. Soc., Chem. Commun., 1974, 180 DOI: 10.1039/C39740000180
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