Efforts have been made to limit copper corrosion. Among the many strategies available to protect copper against corrosion, the use of inhibitors is one of the most practical and effective methods. In recent years, quantum chemical calculations have been used to search for new inhibitors. The aim of this work is to study the inhibiting properties of nine coumarins derivatives in the fight against copper corrosion in 1M nitric acid. The studies were carried out using density functional theory with B3LYP hybrid functional associated with the 6-31G(d, p) orbital basis. Quantum descriptor analysis shows that all coumarin derivatives can accept and donate electrons to the metal. These electron exchanges will promote the formation of covalent bonds. These bonds create a protective layer on the metal's surface to reduce dissolution. The sites of reactivity likely to react with the vacant (metal) copper orbitals are the zones containing C and O atoms. Finally, these compounds have good inhibition performances to slow down metal corrosion in acid solutions. Future studies will focus on gravimetric measurements.

coumarin, corrosion, functional