通过分子轨道反转实现薁的强烈吸收。
Intense absorption of azulene realized by molecular orbital inversion.
作者信息
Tsuchiya Takahiro, Hamano Tomohiro, Inoue Masahiro, Nakamura Tomoya, Wakamiya Atsushi, Mazaki Yasuhiro
机构信息
Department of Chemistry, Kitasato University Kitasato 1-15-1, Sagamihara, Kanagawa 252-0373, Japan.
Institute for Chemical Research, Kyoto University Uji, Kyoto 611-0011, Japan.
出版信息
Chem Commun (Camb). 2023 Aug 31;59(71):10604-10607. doi: 10.1039/d3cc02311g.
The introduction of diarylamino groups at the 2- and 6-positions of azulene was found to invert the order of the orbital energy levels and allowed the HOMO-LUMO transition, resulting in a substantial increase in absorbance in the visible region. In addition, the stability of their one-electron oxidised species was improved by introducing bromine or methoxy groups at the 1- and 3-positions.
发现在薁的2位和6位引入二芳基氨基会使轨道能级顺序反转，并允许最高占据分子轨道-最低未占分子轨道跃迁，从而导致可见光区域吸光度大幅增加。此外，通过在1位和3位引入溴或甲氧基，提高了其一电子氧化物种的稳定性。
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