Synthesis and characterizations of hydride carbonyl ruthenium(II) complexes with (benzimidazol-2-yl)-pyridine ligand

The hydride carbonyl ruthenium(II) [RuH(CO)(bzimpy)(PPh3)2]Cl·CH3OH (1) and [RuH(CO)(bzimpy)(PPh3)2]·CH3OH (2) complexes were synthesized and characterized by IR, 1H, 31P NMR, UV–Vis spectroscopy and X-ray crystallography. In the complexes the 2,6-bis-(benzimidazol-2-yl)-pyridine functions as bidentate ligand exists as protonated in (1) and deprotonated form in (2). The experimental studies were complemented by quantum chemical calculations which were used to identify the nature of the interactions between the ligands and the central ion and the orbital compositions in the frontier electronic structures. Based on a molecular orbital scheme, the calculated results allowed the interpretation of the UV–Vis spectra obtained at an experimental level.

Graphical abstractThe hydride carbonyl ruthenium(II) [RuH(CO)(bzimpy)(PPh3)2]Cl·CH3OH (1) and [RuH(CO)(bzimpy)(PPh3)2]·CH3OH (2) complexes were synthesized and characterized by IR, 1H, 31P NMR, UV–Vis spectroscopy and X-ray crystallography. In the complexes the 2,6-bis-(benzimidazol-2-yl)-pyridine functions as bidentate ligand exists as protonated in (1) and deprotonated form in (2). The experimental studies were complemented by quantum chemical calculations which were used to identify the nature of the interactions between the ligands and the central ion and the orbital compositions in the frontier electronic structures. Based on a molecular orbital scheme, the calculated results allowed the interpretation of the UV–Vis spectra obtained at an experimental level.Figure optionsDownload full-size imageDownload as PowerPoint slide