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

Abstract

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.

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“…Polymers give an excellent portective for carbon steel in 303 K, the protective efficiency gives by polymers ( 4) and ( 6) is (94%), while polymer (5) gives 92% protective efficiency.…”

“…Organic chemicals adsorb on metallic surfaces and slow down the rate of corrosion. Therefore, many organic compounds were used as corrosion inhibitors [4][5][6][7][8]. Chalcones are a significant group of natural compounds and their pharmacological properties have attracted a lot of attention in recent years.…”