Abstract
AbstractThe results of some SCPT and SOS calculations of 1J(CH), 1J(FC), 2J(FH), 3J(FH), 3J(FF) and 1J(CC) in a variety of solvents are reported. The calculations employ the solvaton model and INDO parameters. In almost all cases the coupling is predicted to increase as the dielectric constant of the solvent increases, the exception being 3J(FH)cis in trifluoroethylene which is supported by experimental results.
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