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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Optically Induced Electron Transfer in Mixed-Valence States: A Model Study on Electronic Transitions, Relaxation Dynamics, and Transient Absorption Spectroscopy
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Optically Induced Electron Transfer in Mixed-Valence States: A Model Study on Electronic Transitions, Relaxation Dynamics, and Transient Absorption Spectroscopy

机译:混合价态中的光学诱导的电子转移:电子转换,放松动力学和瞬态吸收光谱的模型研究

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摘要

Quantum dynamical model calculations are performed on the optically induced electron transfer in a mixed-valence system interacting with different solvents. The simultaneously occurring processes of population transfer between electronic states and relaxation are studied in detail. Transient absorption traces, as recently recorded in our laboratory, are simulated, and the features of the spectra are related to the dynamics. The agreement with the experiment hints at the fact that the employed one-dimensional models catch the essentials of the photochemistry of the investigated systems and that they can be used for the interpretation of the transient absorption spectra. It is inferred that the ultrafast electron transfer processes take place on a sub-picosecond time scale and afterward relaxation occurs within several picoseconds.
机译:对与不同溶剂相互作用的混合价体系中的光学诱导的电子转移进行量子动态模型计算。 详细研究了电子状态与放松之间的同时发生的人口转移过程。 瞬态吸收迹线,如最近在我们的实验室中记录的迹象,并且光谱的特征与动态相关。 与实验提示的协议在雇用的一维模型捕获了研究系统的光化学的必要性,并且它们可用于解释瞬态吸收光谱。 推断,超快电子传输过程在亚皮秒时尺度上发生,然后在几种皮秒内发生后部放松。

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