Ruthenium(II) carbonyl complexes with N-[(2-pyridyl)methyliden]-(α/β)-aminonaphthalene: Synthesis, spectroscopic studies and DFT calculation

Reaction of RuH(Cl)(CO)(PPh3)3 with bidentate Schiffs base ligands, N-[(2-pyridyl)methyliden]-α/β-aminonaphthalene (L1/L2) led to the formation of photoluminescence ruthenium carbonyl complexes formulated as [RuCl(CO)(PPh3)2(L1/L2)](PF6) (1a/1b) and [RuH(CO)(PPh3)2(L1/L2)](PF6) (2a/2b) [L1 = N-[(2-pyridyl)methyliden]-α-aminonaphthalene and L2 = N-[(2-pyridyl)methyliden]-β-aminonaphthalene]. The complexes have been characterized by analytical and spectroscopic (IR, UV–Vis and 1H NMR) techniques. The complexes exhibit a MLCT band in the visible region and are emissive in room temperature. The cyclic voltammetric study shows Ru(II)/Ru(III) quasi reversible one electron oxidation couple in the range 0.95–1.15 V. The single crystal X-ray structure of 2a shows distorted octahedral geometry around ruthenium atom. DFT calculations are employed to study the structural and electronic features and to support the spectroscopic data.

► Ruthenium(II) carbonyl complexes with diimine ligands. ► Synthesis and spectral characterization. ► X-ray and electronic structure. ► DFT and TD-DFT calculations.