文献类型：期刊文献

中文题名：苯并三唑衍生物的缓蚀作用及PPP量子化学研究

英文题名：Inhibition Performance and PPP Quantum Chemistry Studies of \=Benzotriazole Derivatives on Copper in NaCl Solution

作者：张大全[1];陆柱[1]

机构：[1]华东理工大学防腐蚀中心

年份：1999

卷号：25

期号：4

起止页码：398

中文期刊名：华东理工大学学报（自然科学版）

外文期刊名：Journal of East China University of Science and Technology

收录：CSTPCD;;EI(收录号：2000045118555);Scopus;北大核心:【北大核心1996】；CSCD:【CSCD2011_2012】；

语种：中文

中文关键词：铜;苯并三唑衍生物;缓蚀作用;PPP量子化学

外文关键词：copper; benzotriazole derivatives; corrosion inhibition; PPP calculation; polarization curves

摘要：通过挂片失重法和电化学极化曲线研究了苯并三唑（ＢＴＡ）、１－氯苯并三唑（ＣＢＴＡ）、５－硝基苯并三唑（ＮＢＴＡ）和５－氨基苯并三唑（ＡＢＴＡ）四种苯并三唑衍生物在ＮａＣｌ溶液中对铜的缓蚀作用。用ＰＰＰ－ＳＣＦ半经验量子化学方法对它们的结构参数进行计算，分析表明ＢＴＡ优良的缓蚀作用主要来自它对一价铜离子的促钝化作用，苯并三唑衍生物在铜表面的吸附是通过整个环上的π电子与铜相互作用实现的，π电子的化学吸附作用对其缓蚀性能有一定的影响。
The inhibition effects of four kinds of benzotriazoles derivatives: benzotriazole(BTA), 1chloridebenzotriazole(CBTA), 5nitrobenzotriazole(NBTA) and 5aminobentriazole(ABTA) were studied by weightloss method and electrochemistry polarization curves in 3% NaCl solution. The Structure parameters of these compounds were calculated by PPPSCF quantum chemistry method. The relationship between their molecular structure and inhibition effciency was also discussed. It shows that the chemisorption of electrons of these compounds has some relationship with their corrosion performance. The best inhibition effect of BTA is contributed by its accelerated passivation for Cu(I) ion.