شماره ركورد كنفرانس :
4865
عنوان مقاله :
Experimental and Theoretical Analysis of the Electrochemical Oxidation of 3,4-Dihydroxy-Cinnamic Acid in the Presence of 2-Mercaptobenzimidazole
پديدآورندگان :
Amani A amani.iran@gmail.com University of Nahavand , Yaghoobi F yaghoobifereshteh@gmail.com University of Nahavand
كليدواژه :
Electrochemical oxidation , Density functional theory (DFT) , Caffeic acid , 2 , mercaptobenzimidazole , Benzo thiazepines.
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
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.
