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An unusual oxo-bridged mixed-valent dinuclear rhenium complex with the Re centers in various different coordination environments |
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| Authors: | B. Machura M. Jaworska |
| Affiliation: | a Department of Inorganic and Radiation Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna Street, 40-006 Katowice, Poland b Department of Theoretical Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna Street, 40-006 Katowice, Poland c Department of X-ray Crystallography and Crystal Chemistry, Institute of General and Ecological Chemistry, Technical University of Lodz, 116 ?eromski Street, 90-924 ?ód?, Poland |
| Abstract: | The [{ReCl4(PPh3)}(μ-O){Re(O)(3,5-Me2pzH)4}] complex has been isolated as a product of the degradation of [ReCl3(3,5-Me2pzH)2(PPh3)] during slow crystallization from chloroform in air. Its crystal and molecular structure has been determined as well as spectroscopic investigations and density functional theory (DFT) calculations have been carried out. The UV-Vis spectrum of the dirhenium complex has been discussed on the basis of the spin-allowed electronic transitions calculated for [{ReCl4(PPh3)}(μ-O){Re(O)(3,5-Me2pzH)4}] with the time-dependent DFT (TDDFT) method. |
| Keywords: | Rhenium Oxo complexes Spectroscopic investigation DFT calculation |
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