Theoretical and electrochemical assessment of inhibitive behavior of some thiophenol derivatives on mild steel in HCl

Inhibitive performance of some synthesized thiophenol derivatives on corrosion behavior of mild steel in 0.1 M HCl solution was investigated by means of electrochemical techniques, quantum chemical and optical microscopy. The increase in concentration and immersion time shows a positive effect on inhibition efficiency while temperature has a negative effect. Inhibitor molecules directly adsorb at surface on the basis of donor–acceptor interactions between the π-electrons of benzene, sulfur and nitrogen atoms and the vacant d-orbitals of iron atoms. According to the thermodynamic parameters, present inhibitors adsorb physically. Optical microscopy examinations demonstrate a decrease in corrosion attacks in presence of inhibitors.

► Two synthesized organic compounds were experimentally and theoretically investigated.
► All investigated compounds showed physisorption on the surface.
► Trail of inhibitor efficiency with immersion time.
► Employing Gaussian DFT method for quantum chemical study of inhibitors.