title: Pyridinylidene-phenoxide in strong electric fields: controlling orientation, conical intersection, and radiation-less decay.
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.
authors.affiliation: Institut für Chemie und Biochemie, Freie Universität Berlin, Takustr. 3, 14195 Berlin, Germany.
authors.forename: S
authors.initials: S
authors.lastname: Belz
authors.forename: S
authors.initials: S
authors.lastname: Zilberg
authors.forename: M
authors.initials: M
authors.lastname: Berg
authors.forename: T
authors.initials: T
authors.lastname: Grohmann
authors.forename: M
authors.initials: M
authors.lastname: Leibscher
mesh_terms: D003497:Cyclic N-Oxides / Q000737:chemistry*; D004574:Electromagnetic Fields; D011725:Pyridines / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D003497:Cyclic N-Oxides; D011725:Pyridines