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Conical intersections and the electronic structure of the excited states of N-phenyl pyrrole - a prototype molecule exhibiting dual fluorescence

Haas, Yehuda ; Zilberg, S. ; Dick, Bernhard



Abstract

The mechanism leading to dual fluorescence in substituted benzene derivs. is discussed using N-Ph pyrrole (PP) as a test mol. A model based on the quasi-Jahn-Teller distortion of the charge transfer (CT) state of PP, similar to that of the benzene anion radical, is presented. The model helps to locate stationary points on the S1 singlet excited state potential surface, and to construct an energy ...

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