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

The reactions of the complex [ReBr3(AsPh3)(OAsPh3)] with pyrazine (pyz) and pyridazine (pyd) have been examined and novel dinuclear rhenium oxocomplexes-[{ReOBr2(pyz)2}2(μ-O)] with a linear ORe-O-ReO backbone (1) and [{ReOBr2}2(μ-O)(μ-pyd)2] with a bent Re2O34+ core (2) - have been obtained. This paper presents the syntheses, spectroscopic investigations, crystal, molecular and electronic structures for the complexes 1 and 2. The electronic structures of 1 and 2 have been examined using the density functional theory (DFT) method, and additional information about the binding has been obtained by NBO analysis. The UV-Vis spectra of 1 and 2 have been interpreted on the basis of the results of time-dependent DFT (TDDFT) calculations.