超声辐射下双(苯并三氮唑)烷烃的合成和量子化学研究  

Study on synthesis and quantum chemistry of bis(benzotriazol)-alkane under ultrasonic wave irradiation

作　　者：王雷[1] 张德纯[2] 

机构地区：[1]滨州医学院药学院,山东烟台264003 [2]苏州大学材料与化学化工学部,江苏苏州215123

出　　处：《化学工程师》2011年第10期66-67,73,共3页Chemical Engineer

摘　　要：以苯并三氮唑和二溴烷烃为原料,在超声辐射下,合成了1,3-双(苯并三氮唑)丙烷和1,4-双(苯并三氮唑)丁烷。通过温度对1,4-双(苯并三氮唑)丁烷产率的影响,确定了最佳反应温度为60℃。另外,运用Gaussian03程序对化合物进行了量子化学计算,发现化合物可以作为柔性双齿配体。The synthesis of 1,3-bis（benzotriazol）propane and 1,4-bis（benzotriazol）butane was developed under ultrasonic wave irradiation.The effect of different temperatures on the yield of 1,4-bis（benzotriazol）butane was investigated and the optimum reaction condition of temperatures was 60℃.In addition,the quantum chemistry calculations for wo bis（benzotriazol）alkane compounds were performed by Gaussian03 program,and the conclusion can be drawn that the compounds can be regarded as flexible bidentate ligands.

关 键 词：双(苯并三氮唑)烷烃 合成 量子化学计算 

分 类 号：O626[理学—有机化学]