Abstract

A semi-empirical evaluation of second-order vibronic coupling integrals for benzene and s-triazine is presented. Two mechanisms responsible for the appearance of second-order effects in the bands of these molecules are identified and discussed. The relative intensities of second-order bands are in reasonable agreement with experimental and pure second-order effects can explain the presence of two-quantum transitions in the s-triazine spectrum, without invoking Jahn—Teller distortions.

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