几种不同给体单元的三甲基三嗪衍生物的合成及发光性质研究  

Substituent Effect in Modeling Molecular Structure and Optical Properties of the Trimethyl-s-triazine Derivatives with Different Donors

作　　者：操玮 张敏莉 周瑞雪[1] CAO Wei;ZHANG Minli;ZHOU Ruixue(Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education,Jianghan University,Wuhan 430056,Hubei,China)

机构地区：[1]江汉大学光电材料与器件教育部重点实验室,湖北武汉430056

出　　处：《江汉大学学报（自然科学版）》2022年第4期14-21,共8页Journal of Jianghan University：Natural Science Edition

摘　　要：通过醇醛缩合反应,以三甲基三嗪为受体单元,合成了D-π-A型三嗪衍生物并表征其稳态瞬态光谱,采用DFT密度泛函计算方法对产物进行了理论计算。结合计算模型结论和光谱表征结果,探讨了不同给体单元和不同分子对称性对物质荧光性质的影响。实验结果表明:所设计的分子结构具备理论上应有的基本光学性质,D-π-A型三嗪衍生物的光物理特性主要由电子给体单元D和三嗪受体单元的分子内电荷转移决定。Several D-π-A trimethyl-s-triazine derivatives were synthesized via aldol reaction with trimethyl-s-triazine as donors,and their steady-state,transient spectra were characterized.The molecular structure of the compounds was analyzed using density functional theory(DFT).Combined with the conclusions of the computational model and the results of spectral characterization,the effect on optical properties related to the symmetry of molecular structures and different donors was discussed.The experimental results demonstrated that the designed molecular structure showed expected optical properties.These properties were mainly determined by the intramolecular charge transfer between the electron-donor unit D and the triazine-acceptor unit.

关 键 词：三嗪 D-π-A型 荧光物质 

分 类 号：O626[理学—有机化学]