Abdulazeez, Ismail et al. published their research in Journal of Molecular Structure in 2019 |CAS: 5709-67-1

The Article related to benzimidazole derivative corrosion inhibitor electron withdrawing donating substituent, Ferrous Metals and Alloys: Corrosion (If The Primary Interest Is In The Metal), Erosion, Cavitation, Tribology, and Oxidation and other aspects.Computed Properties of 5709-67-1

On November 15, 2019, Abdulazeez, Ismail; Khaled, Mazen; Al-Saadi, Abdulaziz A. published an article.Computed Properties of 5709-67-1 The title of the article was Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study. And the article contained the following:

The role of substituents in the enhancement of corrosion inhibition effectiveness in some organic compounds has been the subject of several studies in recent years. Understanding the relationship between corrosion inhibition performance and electronic properties of the mol. shall facilitate the design of efficient inhibitors and reduce the burden of exptl. trials involved. In this study, quantum chem. calculations using d. functional theory (DFT) method were performed on benzimidazole and its derivatives involving various electron-withdrawing and electron-releasing substituents. Several reactivity indicators, such as frontier orbitals, energy gaps, electronegativity, electrophilicity and global hardness were calculated and correlated with available exptl. data. Frontier orbital energy gap predicted 2-nitrobenzimidazole to possess higher anti-corrosion properties, while electronegativity, electrophilicity and global hardness predicted 2-aminobenzimidazole to exhibit higher corrosion inhibition tendency. Results of mol. level interaction studies predicted that the adsorption of the mols. over the iron surface would take place preferentially through the nitrogen atoms of the imidazole ring and the carbon atoms of the benzene ring, resulting in the formation of Fe-N and Fe-C bonds with 2.00-2.40 脜 bond distances which lie within the range of the chemisorption interaction. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Computed Properties of 5709-67-1

The Article related to benzimidazole derivative corrosion inhibitor electron withdrawing donating substituent, Ferrous Metals and Alloys: Corrosion (If The Primary Interest Is In The Metal), Erosion, Cavitation, Tribology, and Oxidation and other aspects.Computed Properties of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem