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首页> 外文期刊>Optics and Spectroscopy >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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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

机译：氧原子和二苯并呋喃分子的平面外高频振动模式在最低三重态无辐射失活中的作用

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摘要

We have studied the deactivation of the triplet sublevels s velence 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 velence 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 non-radiative transition in the approximation of adiabatic and nonadiabatic interactions are presented.
机译：我们已经研究了二苯并呋喃分子的最低三重态T_（1）〜（s）的三重态子级z，y和x的失活，这是由辐射（偶极）和非辐射（降解）跃迁确定的。速率常数K_（rad）〜（s）和K_（dg）〜（s）。主要关注平面内自旋态（svelence z，y）的非辐射跃迁T_（1）〜（s）-> S_（0），这是由分子内相互作用沿着输出坐标确定的平面振动模式。从理论上评估了多电子原子（氧）和高频平面外振动模式在分子内相互作用中的作用。提出了基于描述绝热和非绝热相互作用的非辐射跃迁的三种已知方法（三种模型）的K_（dg）〜（s）估计。

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