Calculations by the perturbed self-consistent molecular orbital INDO method on hexafluorobenzene, pentafluoroaniline, and pentafluoronitrobenzene give almost constant values for the ortho and para fluorine–fluorine coupling constants, in agreement with experiment, and show that the large variation in some of the meta coupling constants is due to the orbital term.
I. Brown and D. W. Davies, J. Chem. Soc., Chem. Commun., 1972, 939 DOI: 10.1039/C39720000939
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