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, cilt.635, ss.229-237, 2003 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 635
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1016/s0166-1280(03)00462-7
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.229-237
  • Anahtar Kelimeler: corrosion mechanism, metal-ligand interaction, imidazoles as inhibitors, tautomerism of metal complexes, protonation of metal complexes
  • Bursa Uludağ Üniversitesi Adresli: Evet

Özet

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.