gfactors of aromatic free radicals

Abstract

A quantitative theory of the g factors of aromatic free radicals is presented, and is applied to hydrocarbon and semiquinone ions. The parameters required in the theory are obtained empirically, and the agreement with experiment is very satisfactory. The g factors of aromatic hydrocarbons are given by g=2·00257 - (19 × 10^-5)λ, where α + λβ is the energy, in the Hückel approximation, of the molecular orbital occupied by the odd electron.