Spin-Orbit Interaction in Aromatic Molecules

Abstract

The matrix elements of spin-orbit interaction are obtained for polyatomic molecules using M.O. wave functions, taking account of configurational interaction. These results are then applied to the calculation of singlet-triplet transition probabilities in aromatic compounds. It is shown without evaluation of integrals that intercombination transitions in these compounds should be much weaker than in most other classes of organic compounds. This is in agreement with experimental results on the phosphorescence lifetimes of these compounds.