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Ultrafast Cis-to-trans Photoisomerization of a Bridged Azobenzene Through npi* Excitation: Rotational Pathway is not Restricted.
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- Ultrafast Cis-to-trans Photoisomerization of a Bridged Azobenzene Through npi* Excitation: Rotational Pathway is not Restricted.
- 发表刊物：
- Chemical Physics Letters
- 摘要：
- A bridged azobenzene was recently found by Siewertsen et al. to exhibit highly efficient photoisomerization through np⁄ absorption. In the work of the present Letter, cis-to-trans photoisomerization of this molecule in the gas phase was examined in detail via density-functional-based dynamical simulations.
Our results indicate that rotation around the central NN bond is the dominant mechanism when this reaction proceeds via np⁄ excitation, and the bridging feature was found not to hinder the rotation. Nonadiabatic de-excitation occurred at an avoided crossing between the ground state and lowest singlet excited state near the midpoint of the rotational pathway.
- 合写作者：
- Chen-Wei Jiang, Rui-Hua Xie, Fu-Li Li et al.
- 卷号：
- 521
- 页面范围：
- 107
- 是否译文：
- 否
- 发表时间：
- 2012-02-01
