Oxorhenium(V) complexes with 2-(1-H-pyrazol-3-yl)phenolato ligand. X-ray structures of [ReOCl2(C9H7N2O)(PPh3)] · MeCN and [ReOX2(C9H7N2O)(AsPh3)] · MeCN (X = Cl, Br) complexes. DFT and TD-DFT calculations for [ReOCl2(C9H7N2O)(PPh3)]

Novel [ReOX2(C9H7N2O)(EPh3)] complexes (X = Cl, Br; E = As, P; C9H7N2O = 2-(1-H-pyrazol-3-yl)phenolato ion) have been prepared by treatment of [ReOX3(EPh3)2] with 2-(1-H-pyrazol-3-yl)phenol in acetone at room temperature. All the complexes were characterised by IR, UV-Vis spectroscopy and elemental analysis. The crystal and molecular structures have been determined for [ReOCl2(C9H7N2O)(PPh3)] · MeCN (1 · MeCN), [ReOCl2(C9H7N2O)(AsPh3)] · MeCN (3 · MeCN) and [ReOBr2(C9H7N2O)(AsPh3)] · MeCN (4 · MeCN) complexes, and electronic structure of 1 has been calculated with the density functional theory (DFT) method.