Trans–cis photoisomerization of azobenzene by n→π* excitation: A semiclassical dynamics study
作者： Shuai Yuan , Wei Feng Wu , Yusheng Dou , Jian She Zhao
DOI: 10.1016/J.CCLET.2008.07.007
关键词: Molecule 、 Photochemistry 、 Chemistry 、 Molecular geometry 、 HOMO/LUMO 、 Excitation 、 Vibronic coupling 、 Molecular physics 、 Azobenzene 、 Ground state 、 Photoisomerization 、 General chemistry
摘要: Abstract A realistic dynamics simulation study is reported for the trans–cis photoisomerization of azobenzene triggered by n → π * excitation and results show that formation cis isomer follows rotational motion around N bond. The find CNN bond angle bending vibrations also play a significant role in vibronic coupling between HOMO LUMO, which essentially leads nonadiabatic transition molecule to electronic ground state.
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