高效率蓝光“热”激子材料的分子设计  

Molecular Design of High-efficiency Blue Light-emitting“Hot”Exciton Materials

作　　者：赵梅 潘玉钰[1] ZHAO Mei;PAN Yu-yu(School of Petrochemical Engineering,Shenyang University of Technology,Liaoning Liaoyang 111003,China)

机构地区：[1]沈阳工业大学石油化工学院,辽宁辽阳111003

出　　处：《广州化工》2021年第4期44-47,50,共5页GuangZhou Chemical Industry

基　　金：国家自然科学基金(51603127);辽宁省教育厅科学研究经费项目(LQGD2019011)。

摘　　要：为了提高蓝光材料的量子效率,以蒽(AN)分子为发光核,一侧分别选取电子给体基团吩噁嗪,电子受体基团1,3,3a 1,4,6,7,9-七氮杂菲,另一侧连接具有不同给电子能力的三苯胺,二苯胺,9,3′:6′,9″-三咔唑,构建出了一系列蓝光分子。对这一系列分子进行构型优化,且针对其吸收和发射光谱以及激发态性质进行模拟分析。结果表明,AN一侧与吩噁嗪基团连接另一侧分别与三苯胺,二苯胺和9,3′:6′,9″-三咔唑连接所构建的蓝光分子不但具有较好的荧光效率并且具备“热”激子材料的显著特征,有可能发展成为高效率的蓝光“热”激子材料。In order to improve the ratio of the quantum efficiencies of blue light-emitting materials,anthracene(AN)molecules were used as the luminescent core,and one side connected the electron donor group phenoxazine and the electron acceptor group 1,3,3a 1,4,6,7,9-Phenanthroline,the other side was connected with triphenylamine,diphenylamine,9,3′:6′,9″-tricarbazole,which had different electron donating abilities,to construct a series of blue light-emitting molecules.The configuration of this series of molecules was optimized,and the absorption and emission spectra and excited state properties were simulated and analyzed.The results showed that the blue light-emitting molecules constructed by the connection of one side of AN with the phenoxazine group and the other side with triphenylamine,diphenylamine and 9,3′:6′,9″-tricarbazole had better performance of the fluorescence efficiency and the outstanding characteristics of“Hot”exciton materials may develop into high-efficiency blue“hot”exciton materials.

关 键 词：蓝光材料 量子效率 蒽分子 分子设计 分子模拟 激发态性质 荧光效率 “热”激子材料 

分 类 号：O644[理学—物理化学]