Synthesis, Characterization, DFT calculation and Antimicrobial Activity of Co(II) and Cu(II) complexes with azo dye

Abstract

Abstract In this study, the ligands based on azo dye of 3,6- diamino-10-methyl acridinium chloride (MAA) and its complexes of Co(II) and Cu(II) were synthesized and characterized successfully via mass, UV-Vis, and infrared spectroscopy and elemental analysis.The energies of HOMO and LUMO orbitals of the MAA ligand were calculated via density functional theory (DFT). The LUMO orbital of the MAA dye is appropriate to donate electron injection to the condition band of TiO 2 . The band energy of MAA dye was 1.8 eV which encourages using it a sensitizing dye in dye-sensitized solar cells. The MAA ligand exhibited interaction ability more than reacting material (3,6- diamino-10-methyl acridinium) according to results of click docking software. The MAA dye and its complexes exhibited attractive biological activity towards streptococcus and staph aureus .