Synthesis, characterizations and catalytic applications of hydridecarbonyl ruthenium(II) complexes with imidazole carboxylic acid derivative ligands

The hydridecarbonyl ruthenium(II) [RuH(CO)(MeImCOO)(PPh3)2]·CH3OH 1 and [RuH(CO)(BImCOO)(PPh3)2] 2 complexes were synthesized and characterized by IR, 1H, 31P NMR, UV–Vis spectroscopy and X-ray crystallography. The experimental studies were completed 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. The luminescence properties of the complexes were determined. The catalytic activity for both of the complexes was tested in the reaction of the double bond migration in O-allyl systems. Complex 1 was significantly more active than complex 2, because of the longer Ru–H bond distance in complex 1 in comparison with complex 2.

Graphical abstractThe hydridecarbonyl ruthenium(II) [RuH(CO)(MeImCOO)(PPh3)2]·CH3OH 1 and [RuH(CO)(BImCOO)(PPh3)2] 2 complexes were synthesized and characterized by IR, 1H, 31P NMR, UV–Vis spectroscopy and X-ray crystallography. The experimental studies were completed 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. The luminescence properties of the complexes were determined. The catalytic activity for both of the complexes was tested in the reaction of the double bond migration in O-allyl systems. Complex 1 was significantly more active than complex 2, because of the longer Ru–H bond distance in complex 1 in comparison with complex 2.Figure optionsDownload full-size imageDownload as PowerPoint slide