Synergy between Experimental and Theoretical Investigations Reveals the Anti‑Corrosion Efficiency of Imine-Chalcones

AUTOR(ES)

Carlos, Mariana P.; Xavier Jr., Neubi F.; Silva Jr., Antônio M. da; Neves, Marcelo A.; Echevarria, Aurea; Bauerfeldt, Glauco F.

FONTE

J. Braz. Chem. Soc.

DATA DE PUBLICAÇÃO

2021-08

RESUMO

The inhibitory action of three imine-chalcones on carbon steel corrosion in HCl was investigated by theoretical and experimental methods. Quantum descriptors were calculated at the conductor-like polarizable continuum model (CPCM)-Becke-3 Parameter-Lee-Yang-Parr (B3LYP)-D3/def2-TZVPP level allowing the prediction of efficiency inhibition ranking. Electrochemical techniques and mass loss experiments were employed to determine inhibition efficiencies and related experimental parameters. Scanning electron microscopy was employed for metal surface analysis. The N-[(1Z,2E)-1,3-diphenylprop-2-in-1-ylidene]-1-phenethylamine (IM-F) was pointed out as the most efficient inhibitor in this group, with 96% of corrosion inhibition. Moreover, theoretical results obtained from periodic calculations for the adsorption on the Fe(110) surface corroborated the highest efficacy of IM-F.

Documentos Relacionados

• SÍNTESE DE (TIO)SEMICARBAZONAS E AVALIAÇÃO EXPERIMENTAL E TEÓRICA DA ATIVIDADE ANTI-CORROSÃO
• ENGLISH GRAMMAR: THEORETICAL AND EXPERIMENTAL INVESTIGATIONS
• Experimental and Theoretical Studies of Volatile Corrosion Inhibitors Adsorption on Zinc Electrode
• EXPERIMENTAL AND THEORETICAL ANALYSIS OF NA OXAZINOQUINOXALINE DERIVATIVE FOR CORROSION INHIBITION OF AISI 1018 STEEL
• Synergy between anti-CD4 and anti-tumor necrosis factor in the amelioration of established collagen-induced arthritis.