Azide Assisted Corrosion Inhibition of Mild Steel by Bioactive Metallic Complexes – A Quantum Chemical Investigation

tive metallic complexes have emerged as promising candidates for corrosion inhibition due to their unique properties and environmentally friendly nature. Aiming of this article to study the activity and effectiveness of corrosion inhibitors. Generally, inhibitors work on surface adsorption properties. Here, we are focusing on the study of inhibitor adsorption activity on metal surfaces by theoretical approach. Schiff base compounds show very good interaction with metal surfaces. Inhibitor interaction was measured by the Density Functional Theory study with the help of Gaussian9 and Accelrys Material Studio 7.0. From the calculation of HOMO, LUMO, △E, △N and Fukui function of Schiff base complex clearly show that the complex 2 has better interaction with metal surface and show maximum efficiency. Very short culation evidently tells us about the inhibitor activity of Schiff base complex.