Roles played by an oxygen atom and out-of-plane high-frequency vibrational modes of a dibenzofuran molecule in the nonradiative deactivation of the lowest triplet state |
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Authors: | E. A. Gastilovich N. V. Korol’kova L. V. Volkova V. G. Klimenko R. N. Nurmukhametov |
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Affiliation: | 1. State Scientific Center of the Russian Federation Karpov Institute of Physical Chemistry, Moscow, 105064, Russia 2. MAMI Moscow State Technical University, Moscow, 107023, Russia
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Abstract: | We have studied the deactivation of the triplet sublevels s = z, y, and x of the lowest triplet state T 1 s of the dibenzofuran molecule, which is determined by radiative (dipole) and nonradiative (degradation) transitions with the rate constants K rad s and K dg s . The main attention is paid to the nonradiative transitions T 1 s ? S 0 from the in-plane spin states (s = z, y), which are determined by the intramolecular interaction along the coordinates of out-of-plane vibrational modes. The roles played by the many-electron atom (oxygen) and high-frequency out-of-plane vibrational modes in the intramolecular interaction have been evaluated theoretically. Estimates of K dg s based on three known approaches (three models) that describe the nonradiative transition in the approximation of adiabatic and nonadiabatic interactions are presented. |
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