Structure, spectra and electrochemistry of ruthenium-carbonyl complexes of naphthylazoimidazole

The synthesis of [Ru(H)(CO)(PPh3)2(α/β-NaiR)](ClO4), [Ru(Cl)(CO)(PPh3)2(α/β-NaiR)](ClO4), are described in this work (α/β-NaiR = 1-alkyl-2-(naphthyl-α/β-azo)imidazole). The X-ray structure of [Ru(H)(CO)(PPh3)2(α/β-NaiMe)](ClO4) is described. Presence of C-H-π interactions between two adjacent molecules has generated non-covalent dimer. Cyclic voltammogram of the complexes report metal oxidation and ligand reductions. DFT calculation defines electronic structures, charge transfer transition and redox properties of the complexes in gas phase.