Synthesis, spectroscopic studies, DFT calculations, cytotoxicity and antimicrobial activity of some metal complexes with ofloxacin and 2,2′-bipyridine

Abstract

Five new mixed ligand metal complexes were synthesized by the reaction of Zn(II), Zr(IV), Ce(III), Th(IV) and U(VI) with ofloxacin (HOfl) and 2,2′-bipyridine (Bipy) in presence of NaOH with 1:1:1:1 M ratio. The chelation possibility of the HOfl and Bipy towards metal ions has been proposed in the light of elemental analysis, molar conductance, spectral (mass, IR, UV–Vis. and 1H NMR), magnetic and thermal studies. Infrared spectra suggest that ligands interact with metal ions as bidentate. Electronic and magnetic data proposed the octahedral structure for all complexes. The experimental studies were complemented by quantum chemical calculation. DFT calculations were carried out and ΔE for compounds in LUMO and HOMO was evaluated and indicated that the U(VI) complex with small energy gap value ΔE (0.168eV), is more reactive than all complexes. The antimicrobial activity of the complexes against various microorganisms was tested and the in vitro anticancer activity against breast (MFC7) and Colon (HCT-116) cell lines was also screened.