مشخصات پژوهش

Electrochemical oxidation of 3,4-Dihydroxy-Cinnamic Acid (1) in the presence of 2-mercaptobenzimidazole (3) has been studied by cyclic voltammetry and controlled-potential electrolysis techniques. The results show that 3,4-Dihydroxy-Cinnamic Acid was oxidized to the corresponding o-benzoquinone. The formed adduct convert to the corresponding benzo thiazepine derivative via ECC mechanism. Furthermore, density functional theory (DFT) study has been used to investigate the enthalpy change (ΔΗ) of the reaction of species studied here, in the gas phase at the BP86/6-311+G** level of theory.