• Magri, A. El
• Chaouki, I.
• Errahmany, N.
• Hmada, A.
• Bakkali, S.
• Touir, Rachid
• Dkhireche, N.
• Boukhris, S.
• Larioui, A.
• Hajri, F. El

Abstract

In this work, two new chromen-6-one derivatives (BCC), namely 7-phenyl-6H,7H-benzo[f]chromeno[4,3-b] chromen-6-one (BCC-Ph) and 7-(furan-2-yl)-6H, 7H-benzo[f] chromeno [4,3-b] chromen-6-one (BCC-Fur), were prepared and identified by spectroscopic technique (NMR). Their performances inhibitions were assessed by electrochemical measurements, and they confirmed and explained using scanning electron microscope combined with energy dispersive X-ray spectroscopy (SEM/EDX) and theoretical studies (DFT calculation and MD simulation). Both electrochemical techniques revealed that the obtained performance value rises with the content of inhibitors to reach 94.94% and 83.57% at 10-3 M BCC-Ph and BCC-Fur, correspondingly. Moreover, according to the PDP method, these compounds behave as mixed-type inhibitors in 1.0 M HCl medium. In addition, the influence of temperature indicated that the performance of the chromen-6-one derivatives slightly decreases with the temperature, and they are characterized by the physico-chemical adsorptions process with chemical dominance, and they act according to the Langmuir approach. The SEM/EDX analysis revealed a significant reduction of the heterogeneity of the metal surface by the establishment of anti-corrosive layer. Finally, the DFT calculations and MD simulation explain the mode of the chromen-6-one derivatives molecules adsorption, and confirm the obtained experimental results.

Topics

• surface
• compound
• corrosion
• scanning electron microscopy
• simulation
• molecular dynamics
• steel
• density functional theory
• Energy-dispersive X-ray spectroscopy
• Nuclear Magnetic Resonance spectroscopy