光电开关
偶氮苯
从头算
量子产额
激发态
量子
分子动力学
材料科学
化学物理
化学
计算化学
纳米技术
光化学
分子
物理
量子力学
有机化学
荧光
作者
Marcus Böckmann,Nikos L. Doltsinis,Dominik Marx
标识
DOI:10.1002/anie.200907039
摘要
Counterintuitively improved photoswitching properties of bridged azobenzene compared to the unbridged counterpart (see picture) were demonstrated recently. Mechanistic insights obtained from nonadiabatic ab initio molecular dynamics reveal that the bridge suitably preorients the phenyl rings and thus enhances the E→Z quantum yield and shortens the lifetime of the first excited state.
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