文献类型：期刊文献

中文题名：苯并噻唑衍生物的缓蚀作用及PPP量子化学研究

英文题名：INHIBITION AND PPP QUANTUM CHEMISTRY STUDY OF BENZOTHIAZOLE DERIVATIVES

作者：张大全[1];俞路[1];陆柱[1]

机构：[1]华东理工大学防腐蚀中心,上海200237

年份：1998

卷号：18

期号：4

起止页码：307

中文期刊名：中国腐蚀与防护学报

外文期刊名：Journal of Chinese Society For Corrosion and Protection

收录：CSTPCD;;Scopus;CSCD:【CSCD2011_2012】；

语种：中文

中文关键词：苯并噻唑衍生物;缓蚀作用;PPP-SCF;缓蚀剂

外文关键词：Cu35Zn brass, Benzothiazole derivatives, Inhibition, Dezincification, PPP calculation

摘要：用溶液分析和电化学极化曲线法研究了三种苯并噻唑衍生物在3％NaCl溶液中对Cu35Zn黄铜的缓蚀作用及脱锌系数的影响,用PPP-SCF方法对苯并噻唑衍生物的结构参数进行量子化学计算,分析表明化合物的最低空轨道能量与缓蚀效率有一定关系。
The corrosion and dezincification of Cu35Zn brass in 3%NaCl solution and their inhibition by three benzothiazole derivatives were investigated by means of solution analysis and potentiodynamic polarization curves. Their inhibition efficiency were found to decrease in the order: 2-mercaptobenzothiazole (MBT)> 2-aminobenzothiazole(ABT)>2-amino-7-methoxybenzothiazole (MABT). Although they inhibited the corrosion of brass, they were ineffective in preventing its dezincification. The structure parameters of these compounds were calculated by PPP-SCF quantum chemistry method. It was shown that the formation of π coordinate bond by a filled d-orbital of metal atom and an empty π* of inhibitor had an association with their inhibition efficiency.