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Synthesis, crystal and spectroscopic characterization of [RuHCl(CO)(PPh3)2(pyrazine)]

The reaction of [RuHCl(CO)(PPh3)3] with pyrazine has been examined and a ruthenium(II) complex – [RuHCl(CO)(PPh3)2(C4H4N2)] -- has been obtained. The compound has been studied by IR, UV–Vis spectroscopy, and X-ray crystallography. The molecular orbital diagram of the complex has been calculated with density functional theory (DFT). The spin-allowed singlet--singlet electronic transitions of the complex have been calculated with the time-dependent DFT method, and the UV–Vis spectrum of the compound has been discussed on this basis.