Correlation between the molecular structure and the corrosion inhibiting effect of some pyrophthalone compounds

被引：130

作者：

Stoyanova, A

Petkova, G

Peyerimhoff, SD

机构：

[1] Univ Bonn, Inst Theoret Chem, D-53115 Bonn, Germany

[2] Bulgarian Acad Sci, Cent Lab Electrochem Power Sources, Sofia, Bulgaria

来源：

CHEMICAL PHYSICS | 2002年 / 279卷 / 01期

关键词：

quantum chemical calculations; geometrical and electronic molecular structure pyrophthalone compounds; corrosion inhibiting effect;

D O I：

10.1016/S0301-0104(02)00408-1

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：

Quantum chemical SCF calculations of the geometrical and electronic molecular structure of alpha- and gamma-pyrophthalone compounds were performed. The correlation between molecular structure of these compounds and their inhibition efficiency in case of copper corrosion was found. It was established that the decrease of the ionisation potential and the increase of the molecular dipole moment favour the higher inhibition efficiency toward corrosion. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：1 / 6

页数：6

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