Vibronic interaction in the lower electronic states of benzene

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Abstract
Results are given of some calculations on the (pseudo Jahn-Teller) vibronic interaction between the lower excited B 1u and E 1u triplet states of benzene in which two active vibrations in the pseudo-cylindrical approximation are considered. A satisfactory account is given of the relative intensities of the six characteristic bands in the phosphorescence spectrum which involve one or three quanta of the active modes, and also of the energy of the prominent doublet in the absorption spectrum first observed by Burland et al. In addition interaction with a crystal field is considered: a simple potential affords a quantitative explanation of the splitting of the doublet in the absorption spectrum and also of the crystal field induced intensities of the 0-0 bands in absorption and emission.