Synthesis, spectroscopic characterization, crystal, molecular and electronic structure of the [{ReOBr2(pyz)(2)}(2)(mu-O)] and [{ReOBr2}(2)(mu-O)(mu-pyd)(2)] complexes

摘要

The reactions of the complex [ReBr3(AsPh3)(OAsPh3)] with pyrazine (pyz) and pyridazine (pyd) have been examined and novel dinuclear rheniurn oxocomplexes - [{ReOBr2(PYZ)(2)}(2)(mu-O)] with a linear O=Re-O-Re=O backbone (1) and [{ReOBr2}(2)(mu-O)(mu-pyd)(2)] with a bent Re2O34+ core (2) - have been obtained. The X-ray structures of the complexes 1 and 2 have been determined, and their electronic structures have been examined using the density functional theory (DFT) method. The UV-Vis spectra of 1 and 2 have been interpreted on the basis of the results of time-dependent DFT (TDDFT) calculations. (c) 2005 Elsevier Ltd. All rights reserved.