Synthesis, crystal, molecular and electronic structures of thiocyanate hydrido-carbonyl ruthenium(II) complexes with imidazole derivatives ligands

[RuH(CO)(SCN)(PPh3)3] and [RuH(CO){SCN}(PPh3)2(L)]{SCN} complexes (where L = benzimidazole, 2-(2-pyridyl)benzimidazole and 2,2′-bis(4,5-dimethylimidazolyl)) have been prepared and studied by IR, NMR, UV–Vis spectroscopy and X-ray crystallography. Electronic structures and bonding of the obtained complexes were defined on the basis of DFT method. Values of the ligand field parameter 10Dq and Racah’s parameters were estimated for the studied compounds, and the luminescence properties were determined.

Graphical abstractThe [RuH(CO)(SCN)(PPh3)3] and [RuH(CO){SCN}(PPh3)2(L)]{SCN} where L = benzimidazole, 2-(2-pyridyl)benzimidazole and 2,2′-bis(4,5-dimethylimidazolyl) complexes have been prepared and studied by IR, NMR, UV–Vis spectroscopy and X-ray crystallography. The electronic structures and bonding of the obtained complexes were specified on the basis of DFT method. The values of the ligand field parameter 10Dq and Racah’s parameters were estimated for studied compounds and the luminescence properties were determined.Figure optionsDownload full-size imageDownload as PowerPoint slide