Ruthenium(II) hydridecarbonyl complex with N,N′-bis(2-pyridyl)thiourea as co-ligand

The reaction of [RuHCl(CO)(PPh3)3] with N,N′-bis(2-pyridyl)thiourea (BPT) gave a new ruthenium(II) complex, namely [RuHCl(CO)(PPh3)2(BPT)]Cl. The complex has been studied by IR, NMR and UV–Vis spectroscopy and by X-ray crystallography. The molecular orbitals of the complex have been calculated by density functional theory. The spin-allowed singlet-singlet electronic transitions of the complex have been calculated by time-dependent DFT, and the UV–Vis spectrum of the compound is been discussed on this basis. The emission properties of the compound were also studied.

Graphical abstractThe reaction of [RuHCl(CO)(PPh3)3] with N,N′-bis(2-pyridyl)thiourea gave a new ruthenium(II) complex, namely [RuHCl(CO)(PPh3)2(BPT)]Cl. The complex has been studied by IR, NMR and UV–Vis spectroscopy and by X-ray crystallography. The molecular orbitals of the complex have been calculated by density functional theory. The spin-allowed singlet-singlet electronic transitions of the complex have been calculated by time-dependent DFT, and the UV–Vis spectrum of the compound is been discussed on this basis. The emission properties of the compound were also studied.Figure optionsDownload full-size imageDownload as PowerPoint slide