新型芳环桥连三氮唑衍生物的合成及其性质研究  

Synthesis and property studies on a series of novel triazole derivatives containing different aryl group units

作　　者：王婷[1,2] 朱槿[1] 王金云[3] 黄晴菲[1] 王启卫[1] 

机构地区：[1]中国科学院成都有机化学研究所,四川成都610041 [2]中国科学院大学,北京100049 [3]中国科学院福建物质结构研究所,福建福州350002

出　　处：《化学研究与应用》2016年第5期659-665,共7页Chemical Research and Application

基　　金：四川省科技厅应用基础研究计划项目(2014JY0205)资助;国家自然科学基金青年科学基金项目(21303204)资助

摘　　要：报道了以1,2-双[氯（苯基）亚甲基]腙与一系列含苯胺基团的化合物进行缩合反应,合成了一系列含有不同连接基团结构的三唑衍生物,其结构经1 H NMR 或MS 表征.用TGA,DSC,UV-Vis 和循环伏安法研究了化合物的热稳定性、光学和电化学性质,其结果表明这一系列化合物具有良好的热稳定性和优良的光学及电化学性质,并且采用（含时）密度泛函理论方法研究了其电子结构和吸收跃迁性质.结果显示该类化合物作为电子传输材料在OLEDs 器件中具有潜在的应用价值.A series of compounds containingtriazole group were synthesized via the coupling reaction between 1,2-bis[chloro(phen-yl) methylidene] hydrazine and different aniline moiety. All of them were fully characterized by proton nuclear magnetic resonance spectroscopy or mass spectrometry methods. Thermal stability,optical and electrochemical properties of these compounds were stud-ied by TGA,DSC,UV-Vis and cyclic voltammetry. These materials exhibited good thermal stabilities and had the potential to be fab-ricated into OLED devices as electron-transport materials. To further evaluate the feasibility of those new materials for optoelectronic applications,(TD-)DFT((time-dependent)density functional theory)calculations were performed to characterize the electronic structures and absorption transition properties of these new compounds.

关 键 词：三唑衍生物 电子传输材料 密度泛函理论 

分 类 号：O626.26[理学—有机化学]