The Lower Excited States and the Phosphorescent State of Diphenyl II. Scheme of Modification of MO

Abstract

To treat the problem of phosphorescence of alternant hydrocarbon we propose a new method to take account of the mixing of higher order AO’s.
We give here a theoretical scheme of the modification of 2pπ MO with the addition of 3d AO’s for diphenyl molecule. With the modified MO’s thus obtained, the singlet triplet intercombination matrix is given in the concrete form.