一种苯磺酰基/螺-9,9′-氧杂蒽芴双极性分子的简易合成法:分子结构与光电性质（英文）  

A Facile Method to Synthesis of Phenylsulfonyl/Spiro [fluorene-9,9’-xanthene] Bipolar Molecule:Molecular Structure,Optical and Electrochemical Properties

作　　者：赵祥华[1,2] 王莉敏[1] 王竞园[1] 唐林 凌海峰[2] 许文娟[2] 陈明[1] 邹国栋 ZHAO Xiang-hua;WANG Li-min;WANG Jing-yuan;TANG Lin;LING Hai-feng;XU Wen-juan;CHEN Ming;ZOU Guo-dong(Chemical Engineering,Xinyang Normal University,Xinyang 464000,China;Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials(IAM),Jiangsu National Synergetic Innovation Center for Advanced Materials(SICAM),Nanjing University of Posts & Telecommunications,Nanjing 210023,China)

机构地区：[1]信阳师范学院化学化工学院,河南信阳464000 [2]有机电子与信息显示国家重点实验室培育基地,信息材料与纳米技术研究院,江苏先进生物与化学制造协同创新中心,南京邮电大学,江苏南京210023

出　　处：《发光学报》2019年第4期476-483,共8页Chinese Journal of Luminescence

基　　金：国家自然科学基金(61405170,21671109);江苏省自然科学基金面上项目(BK20141422);信阳师范学院大学生科研基金(2017-DXS-121);信阳师范学院“南湖学者奖励计划”青年项目资助~~

摘　　要：利用一种简易合成法制备了2′-苯磺酰基-螺-9,9′-氧杂蒽芴(PSSFX)。热重分析曲线和差热扫描曲线表明该化合物在222℃时失重5%,加热到160℃没有玻璃化转变温度,其熔点为124℃。通过磷光光谱计算得到该化合物的三线态能级T1为2.77eV。利用密度泛函计算得知其HOMO(-5.83eV)和LUMO(-1.62eV)轨道相分离。通过循环伏安法得到其HOMO、LUMO和Eg分别为-6.33,-2.34,3.94eV。这表明缺电子的苯磺酰基有利于改善其电子注入/传输性能。PSSFX在二氯甲烷溶液和晶体粉末的紫外吸收峰分别位于267nm和274/351nm左右,发射峰分别位于408nm和341nm左右。In this work, a facile method was used to prepare 2′-(phenylsulfonyl)spiro[fluorene-9,9′-xanthene](PSSFX). The thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) curves demonstrate that PSSFX losed 5% weight at decomposition transition temperature of 222 ℃ and melted at 124 ℃ with no crystallization phenomena by heating to 160 ℃. The high triplet energy level(T 1, 2.77 eV) of the compound was calculated from phosphorescence spectrum. The separated the highest occupied molecular orbital (HOMO,-5.83 eV) and the lowest unoccupied molecular orbital (LUMO,-1.62 eV) of the compound were calculated by density functional theory(DFT). Cyclic voltammetry measurements were employed in experiment to obtain the HOMO, LUMO, and E g of -6.33 ,-2.34, 3.94 eV, respectively. The optical properties of PSSFX were researched in dichloromethane and crystal powder with absorption peaks around 267, 274/351 nm, and emission peaks at about 408, 341 nm, respectively.

关 键 词：位阻 双极性分子 简易合成法 螺环化合物 低成本 

分 类 号：O482.31[理学—固体物理] TN383.1[理学—物理]