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

摘要

[RuH(CO)(SCN)(PPh_3)_3] and [RuH(CO){SCN}(PPh _3)_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.