Synthesis, characterization and molecular modeling of new ruthenium(II) complexes with nitrogen and nitrogen/oxygen donor ligands

Abstract

Ru(II) complexes with some dinitrogen ligands; 3,4-diamino benzoic acid (DABA), 2-hydazinopyridine (hzpy), 2,2′-bipyridyl (bipy) and anthranilic acid (anth) have been synthesized and characterized by using IR, mass, and UV–Vis spectrometry and thermal analysis. The thermodynamic parameters (ΔE, ΔH, ΔS and ΔG) have been calculated by using Coats–Redfern and Horowitz–Metzger methods. The electrochemical properties of these complexes have been studied by using cyclic voltammetry. The evaluated energies of the HOMO and LUMO are in the range of −4.94 to −4.85 eV and −2.86 to −2.68 eV, respectively. The complexes have been proven to have an octahedral geometry with DABA, hzpy and bipy as N2 donor ligands and NSC as monodentate ligand. The structure of the Ru(II) complexes has been geometrically optimized by using parameterized PM3 semiempirical method.