Abstract

The coupling constants in substituted benzenes have been discussed with respect to substituent constants σi and σπ, and △J-excess J value-has been devided into 2 contributions from σ- and π-electronic effects. The J values of vicinal 1H and those of meta to one another are shown to be estimated from Eq. (1) and Eq. (2), respectively. J≒ (Ji+Jπ) ref. + Σ△Ji (1) J≒ (Ji+Jπ) ref. + Σ (△Ji+△Jπ) (2) Above simple additive relations are not reliable in tetra-substituted benzenes, probably due to the mutal substituent interactions.

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