Synthesis, molecular, crystal and electronic structures of [(C6H6)RuCl(HPz)2]Cl and [(C6H6)RuCl2(Me2HPz)]
Journal article published in 2004 by
J. G. Małecki 
,
J. O. Dziȩgielewski,
M. Jaworska,
R. Kruszynski,
T. J. Bartczak
,
J. O. Dziȩgielewski,
M. Jaworska,
R. Kruszynski,
T. J. Bartczak
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Abstract
The reactions of the (C6H6)RuCl2]2 complex with pyrazole and dimethylpyrazole have been examined. The ruthenium complexes, [(C6H6)RuCl(C3N2H4)2]Cl and [(C6H6)RuCl(C5N2H8)2], have been obtained and characterized by IR, UV–Vis and 1H NMR measurements. Crystal, molecular and electronic structures of the complexes have been determined. The geometries of the complexes were optimized with the DFT method and their UV–VIS spectra were calculated with the TDDFT method.