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The role played by some factors of intramolecular interaction in nonradiative deactivation of the lowest triplet state of octachlorodibenzo-p-dioxin
Authors:E A Gastilovich  V G Klimenko  L V Volkova  R N Nurmukhametov
Institution:1. Karpov Institute of Physical Chemistry State Scientific Center of the Russian Federation, Moscow, 105064, Russia
2. MAMI Moscow State Technical University, Moscow, 107023, Russia
Abstract:We have studied how intramolecular interactions, such as vibronically induced spin-orbit (VISO) and nonadiabatic interactions, which are governed by different structural elements of the octachlorodibenzo-p-dioxin (OCDD) molecule, affect the deactivation of its lowest triplet state. In the nonadiabatic approximation, taking into account out-of-plane vibrational modes as promoting ones, we have estimated the values of rate constant K dg s of the nonradiative energy deactivation of in-plane triplet sublevels (s = z, y) of the triplet state of the OCDD molecule.
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