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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Optically Induced Charge Transfer in Organic Mixed-Valence Systems: Wave Packet Dynamics and Femtosecond Transient Spectroscopy
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Optically Induced Charge Transfer in Organic Mixed-Valence Systems: Wave Packet Dynamics and Femtosecond Transient Spectroscopy

机译：有机混合效价系统中的光学诱导电荷转移：波分组动力学和飞秒瞬态光谱

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摘要

We theoretically study the dynamics of charge transfer induced by femtosecond laser-pulse excitation. Models involving coupled electronic states of symmetrically bridged organic mixed-valence molecules are investigated, where the motion proceeds along two reaction coordinates. Linear absorption spectra of two species that differ in the energetical position of the bridge, relative to acceptor and donor states, are determined and compared to experimental results. From the wave packet dynamics it emerges that relaxation dominates the charge transfer. This behavior is reflected in transient absorption spectra, which are obtained from a directional decomposition of the time-dependent polarization. Due to the nature of the coupled dynamics the extraction of the relevant contributions needs an extension of well-known techniques for the decomposition.
机译：我们从理论上研究了飞秒激光脉冲激发引起的电荷转移动力学。研究了对称桥联有机混合价分子的耦合电子态模型，其中运动沿两个反应坐标进行。测定了两种在桥的能量位置不同的物种相对于受体和施主态的线性吸收光谱，并与实验结果进行了比较。从波包动力学可以看出，弛豫主导了电荷转移。这种行为反映在瞬态吸收光谱中，瞬态吸收光谱是由随时间变化的偏振方向分解得到的。由于耦合动力学的性质，提取相关贡献需要扩展已知的分解技术。

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