Two mononuclear Re(v) complexes [ReO(OMe)(PPh 3 ) 2 (Alizarin) 2 ] and [ReO(OMe) 2 (PPh 3 ) 2 (Alizarin)] where Alizarin is3-((3-nitrophenyl)hydrazinylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate, has been prepared and characterized by elemental analysis, FT-IR and UV-Vis methods. The structures of the complexes were optimized by Gussian09 at the semi-empirical PM6 level of theory the computational part also consists of mulliken atomic charges, dipole moment and HOMO and LUMO energies. Also, the electrocatalytic reduction of CO 2 to CO by [ReO(OMe)(PPh 3 ) 2 (Alizarin) 2 ] and [ReO(OMe) 2 (PPh 3 ) 2 (Alizarin)] have investigated by cyclic voltammetry technique. The CV data showed that the multi-electron reduction of CO 2 was catalyzed by metal complexes and two mechanisms were proposed for for this multi-step reduction.
