A theoretical approach to search inhibition mechanism of corrosion via metal-ligand interaction for some imidazole derivatives

被引：28

作者：

Ögretir, C

Çalis, S

Bereket, G

机构：

[1] Osmangazi Univ, Fac Arts & Sci, Dept Chem, TR-26020 Eskisehir, Turkey

[2] Uludag Univ, Fac Educ, Bursa, Turkey

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2003年 / 635卷

关键词：

corrosion mechanism; metal-ligand interaction; imidazoles as inhibitors; tautomerism of metal complexes; protonation of metal complexes;

D O I：

10.1016/S0166-1280(03)00462-7

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The mechanism of corrosion inhibition was searched by investigating the stability of Zn complexes of five imidazole derivatives using semiempirical methods in gas phase. The obtained results were found to be parallel to the experimental values of literature with the exception of compound 3 which is an ester. (C) 2003 Elsevier B.V. All rights reserved.

引用

页码：229 / 237

页数：9

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