Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′‐Bipyridine and Glycine: Electrochemical and Theoretical Studies

A mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′‐bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were also applied to the Cu/OH− interface in the presence of the two studied free ligands, namely, BPy and Gly. The results showed that the three studied compounds acted as mixed‐type inhibitors, with CuC being the most efficacious one. The adsorption of the inhibitor is confirmed from X‐ray photoelectron spectroscopy (XPS) profiles by the appearance of organic chlorine as well as pyridine and amine nitrogen bonds. Based on XPS data, it was presumed that the corrosion inhibitor stimulates the formation of Cu2CO3(OH)2 species at the electrode surface since, in the case of a corroded reference sample (in absence of inhibitors), its proportion is trivial. The reactivity of the isolated inhibitors was analyzed by computing several quantum chemical parameters based on the density functional theory (DFT). A good correlation was found between these parameters and the anticorrosive performance. Additionally, Monte Carlo simulation studies were applied to find the best configurational space of ligands and their complex on the Cu(111) surface. A mixed ligand copper(II) complex was synthesized and structurally characterized. The performed electrochemical studies showed that the complex significantly inhibited the uniform corrosion of copper in alkaline media. The corrosion inhibition efficiency provided was 99.3 % (20 mM), and the inhibition mechanism affected both anodic and cathodic processes. The corrosion inhibitor catalyzed Cu2CO3(OH)2 species formation limiting the corrosion rate. The experimental observations were cross‐verified by computing global reactivity parameters of the molecules by Monte Carlo simulations.