苯并三唑衍生物的缓蚀作用及PPP量子化学研究

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

摘要: 通过挂片失重法和电化学极化曲线研究了苯并三唑，１－氯苯并三唑，５－硝基苯并三唑和５－氨基苯并三唑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了了的促钝化作用，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。

Abstract: 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.