Synthesis, molecular, crystal and electronic structures of [(C6H6)RuCl(HPz)(2)]Cl and [(C6H6)RuCl2(Me(2)HPz)]

摘要

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 H-1 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. (C) 2003 Elsevier Ltd. All rights reserved.