Chloride and pseudohalide hydride-carbonyl ruthenium(II) complexes with 4-pyrrolidinopyridine as co-ligand

Chloride and pseudohalide (N3−, NCS−) hydride-carbonyl ruthenium(II) complexes with 4-pyrrolidinopyridine as co-ligand were synthesized and characterized by IR, 1H, and 31P NMR, electronic absorption and emission spectroscopy and X-ray crystallography. The electronic structures of the complexes were calculated by density functional theory (DFT) on their crystal structures. The spin-allowed singlet–singlet electronic transitions of the complexes were calculated by time-dependent DFT, and the UV–Vis spectra have been discussed on these basis. The emission properties of the complexes were also studied.