Synthesis,crystal, molecular and electronic structures of thiocyanate hydrido-carbonyl ruthenium(II) complexes with imidazole derivatives ligands |
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| Authors: | JG Ma?ecki |
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| Institution: | Department of Crystallography, Institute of Chemistry, University of Silesia, 9th Szkolna St., 40-006 Katowice, Poland |
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| Abstract: | 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. |
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| Keywords: | Ruthenium hydridocarbonyl complexes Ruthenium thiocyanate complexes Benzimidazole 2-(2-Pyridyl)benzimidazole 2 2&prime -Bis(4 5-dimethylimidazolyl) X-ray structure UV&ndash Vis Luminescence DFT TD-DFT |
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