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Abstract
The effect of solvent on 3JFHtrans and 3JFHcis for monofluoroethylene, trans-1,2-, cis-1,2- and 1,1-difluoroethylene and trifluoroethylene has been calculated by the FPT-INDO-solvaton method and compared with the experimental values in the literature. The effect of substituent groups and the dependence on the dielectric constant of the reported3JFH values have been reproduced by calculation. Examination of the electronic structures of solute molecules, taking into account the p electron component of F ⋯ H, leads to the conclusion that the effects of solvent on 3JFHtrans and 3JFHcis are caused by the same kinds of changes in electronic distribution.
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