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


Ogretir C., Calis S., Bereket G.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.635, pp.229-237, 2003 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 635
  • Publication Date: 2003
  • Doi Number: 10.1016/s0166-1280(03)00462-7
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.229-237
  • Keywords: corrosion mechanism, metal-ligand interaction, imidazoles as inhibitors, tautomerism of metal complexes, protonation of metal complexes
  • Bursa Uludag University Affiliated: Yes

Abstract

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.