Abstract

A quantum-chemical study of the influence of the photoisomerization reaction on the efficiency of the processes of decay of the fluorescent state of a molecule of a model compound containing a styryl group is performed. The influence of variations in the structural parameters and the geometry of the model molecule on the positions of low-lying electronic states and the efficiency of degradation of the fluorescent state is studied. It is shown that the best agreement between the results of calculations and the experimental data is obtained when a linear butadiene model is used.

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