Ruthenium(II) carbonyl complexes with thiosemicarbazone ligands

This paper presents a combined experimental and computational study of Ru(II) carbonyl complexes containing thiosemicarbazone ligands. Five novel [Ru(H/Cl)(L)(PPh3)2] complexes have been obtained and characterized by IR, 1H, 13C, 31P NMR, UV–Vis spectroscopy and X-ray crystallography. Their electronic structures have been determined using the density functional theory (DFT) method and employed for a discussion of their properties. The donor–acceptor properties of the ligands were correlated with the substituent positions on the benzene ring. The luminescence properties of the complexes have also been examined.

Graphical abstractAn experimental and computational study of Ru(II) carbonyl complexes containing thiosemicarbazone ligands is presented. The novel five [Ru(H/Cl)(L)(PPh3)2] complexes have been obtained, characterized by IR, 1H, 13C, 31P NMR, UV–Vis spectroscopy and X-ray crystallography. Their electronic structures have been determined using the density functional theory (DFT) method and employed for a discussion of their properties. The donor–acceptor properties of the ligands were correlated with the substituent positions on the benzene ring. The luminescence properties of the complexes have also been examined.Figure optionsDownload full-size imageDownload as PowerPoint slide