In an Acidic Environment, Perimidin-10-one Derivatives were Evaluated as Potential Copper Corrosion Inhibitors (Experimental and Theoretical Examinations)

Some perimidin-10-one derivatives ( 1–3 ) were investigated for corrosion protection of copper in nitric acid solution 2.0 M using mass loss (ML), electrochemical frequency modulation (EFM), electrochemical impedance spectroscopy (EIS), and Tafel polarization techniques. At an optimum dose of 1.1 × 10 –5 M, perimidin-10-one derivatives ( 1–3 ) provide 88.8% hindrance. These compounds were predominantly working as mixed inhibitors, according to Tafel. A corrosion hindrance mechanism was also devised using the EIS test. The Florry–Huggins isotherm governs the adsorption of perimidin-10-one derivatives ( 1–3 ) on the surface of Cu. The parameters of thermodynamic activation were estimated to build a corrosion hindrance mechanism. EDX and SEM were used to evaluate the morphology of protected copper. The results of experimental study were confirmed by theoretical analyses. The results of experimental study were confirmed by theoretical analyses. Quantum chemical calculations and molecular dynamic simulations have been used to apply theoretical studies. The low energy gap, mulliken, and fukui indices are all visible in quantum chemical computations. Compound 1 has a higher adsorption energy than the other compounds, according to the results of the molecular dynamics simulation. The following is the order in which the inhibition efficiency is regulated: ( 1 ) > ( 2 ) > ( 3 ). Graphical Abstract