The author of 《Mechanistic studies of the influence of halogen substituents on the corrosion inhibitive efficiency of selected imidazole molecules: A synergistic computational and experimental approach》 were Abdulazeez, Ismail; Zeino, Aasem; Kee, Choon Wee; Al-Saadi, Abdulaziz A.; Khaled, Mazen; Wong, Ming Wah; Al-Sunaidi, Abdullah A.. And the article was published in Applied Surface Science in 2019. COA of Formula: C3H3BrN2 The author mentioned the following in the article:
Adsorption behavior and corrosion inhibition mechanism of imidazole and its C2-halogenated analogs (with the halogen atoms being Cl, Br or I) on Fe(1 0 0) surface were investigated by DFT periodic slab calculations and electrochem. techniques. DFT calculations revealed that C2-halogenated imidazoles adopt the tilted conformation on Fe surface with a significantly lengthened C-halogen bond and readily undergo facile dissociation at the halo-substitution with calculated adsorption energies -3.95, -3.76 and -3.48 eV for 2-I-Imz, 2-Br-Imz and 2-Cl-Imz, resp. Electrochem. evaluations supported with surface characterization studies showed that the inhibitor mols. adsorb onto mild steel with 2-I-Imz having the highest inhibition efficiency of 83.5%. The trend of observed inhibition efficiencies correlates with adsorption energies and kinetic behavior predicted by the MD approach. The strength of adsorption in the order I >Br > Cl. The present study therefore provides a thorough mechanistic understanding of the role halogen substituents could play on the corrosion inhibitive performance of small organic systems. In addition to this study using 2-Bromo-1H-imidazole, there are many other studies that have used 2-Bromo-1H-imidazole(cas: 16681-56-4COA of Formula: C3H3BrN2) was used in this study.
2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. COA of Formula: C3H3BrN2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem