Watanabe Hiroyuki, Hirose Masataka, Tanaka Kazuo, Chujo Yoshiki
Department of Polymer Chemistry, Graduate School of Engineering, Kyoto University, Katsura, Nishikyo-ku, Kyoto 615-8510, Japan.
Chem Commun (Camb). 2017 May 2;53(36):5036-5039. doi: 10.1039/c7cc01287j.
This communication describes the transformation of a non-emissive heterocycle into a luminophore via modulation of molecular orbitals by employing a dialkylamine-substituted pentaazaphenalene (A5AP) skeleton. It was presumed that the introduction of the amine group changed the symmetry-forbidden HOMO-LUMO (H-L) transition to an allowed one. According to optical measurements and theoretical calculations, the H-L transition was turned into the symmetry-allowed one because of the lone pair on the nitrogen atom in the dialkylamine substituent. Finally, the A5AP derivatives presented significant emission from the H-L transition.
本通讯描述了通过使用二烷基胺取代的五氮杂菲（A5AP）骨架来调制分子轨道，从而将非发光杂环转化为发光体的过程。据推测，胺基的引入将对称性禁阻的HOMO-LUMO（H-L）跃迁转变为允许的跃迁。根据光学测量和理论计算，由于二烷基胺取代基中氮原子上的孤对电子，H-L跃迁转变为对称性允许的跃迁。最后，A5AP衍生物呈现出显著的H-L跃迁发射。
