3-(4′-吡啶基)/苯基-6-芳基-1,2,4-三唑并[3,4-b]-1,3,4-噻二唑的合成及电化学性质表征  

Synthesis and Electrochemical Properties of 3-(4′-Pyridyl)/phenyl-6-aryl-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles

作　　者：谈春霞[1] 冯若飞[2] 

机构地区：[1]甘肃中医学院,兰州730000 [2]西北民族大学生物工程与技术国家民委重点实验室

出　　处：《应用化学》2007年第11期1332-1336,共5页Chinese Journal of Applied Chemistry

摘　　要：由化合物3-(4′-吡啶基)/苯基-4氨基-5-巯基-1,2,4-三唑与芳香酸在三氯氧磷作用下脱水、闭环得到3-(4′-吡啶基)/苯基-6-芳基-1,2,4-三唑并[3,4-b]-1,3,4-噻二唑类新型化合物,产率为42%~72%。该化合物具有较大的共轭平面,其结构经红外光谱、核磁共振氢谱、元素分析测试技术确证。电化学测试的工作窗口为-1.4~1.0V,负向扫描,循环伏安图中显示标题化合物均有还原峰,还原起始电位为-0.35^-0.95V。借鉴有机材料能带表征的方法,结合其紫外-可见光谱计算出了被测化合物的电子亲和势、电离势、带隙等电化学参数。结果表明,与常用的有机电子传输材料PBD相比,标题化合物具有较高的电子亲和势(3.79~4.39eV)和电离势(6.95~7.84eV),较高的电子亲和势有利于电子的传输。The title compounds were synthesized from 3-（4＇-pyridyl）/phenyl-4-amino-5-mercapto-1,2,4- triazoles with aryl acid via cyclization in the presence of phosphoryl chloride. Yields were about 42% - 72%. The structure of these compounds were comfirmed by IR, 1H NMR and elemental analysis. The electrochemical analysis was carried out at - 1.4 - 1.0 V with negative scanning. Cyclic voltammetrie curves of compounds 2a - 2i showed that title compounds all had reduction peaks and their onset potentials were -0.35～ -0.95 V. UV spectra and cyclic vohammograms of these compounds were measured and used to calculate their electron affinities （EA）, ionization potentials （P1） and band gaps. Data show that these compounds all had higher EA （3.79 - 4. 39 eV） and higher Pl （6- 95 - 7.84 eV） compared with PBD, which are apt to the transfer of electrons and back holes.

关 键 词：均三唑并噻二唑 循环伏安 电子传输 

分 类 号：O625.7[理学—有机化学]