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Published on: May 29, 2018
Pyridinylidene-phenoxide in strong electric fields: controlling orientation, conical intersection, and radiation-less
1Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin, Germany.
Abstract:
Strong electric fields open new routes for the control of radiation-less decay in molecules with conical intersections. Here, we present quantum chemical and quantum dynamical simulations which demonstrate that the radiation-less decay and related photoisomerization of pyridinylidene-phenoxide can be effectively manipulated with strong electric fields by shifting the conical intersection. Moreover, we show the effects of the electric field on the orientation of the molecules and on the photoexcitation and discuss the conditions for which the field induced coupling between rotational and vibronic states can be neglected.
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