The synthesis,molecular, crystal,and electronic structures of [ReBr2(O)(OCH3)(PPh3)2] |
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| Abstract: | ReBr2(O)(OCH3)(PPh3)2] has been obtained in the reaction of ReBr3O(PPh3)2] or ReBr2(η2-N2COPh-N′,O)(PPh3)2] with an excess of methanol. ReBr2O(OMe)(PPh3)2] crystallizes in the triclinic space group P-1. The complex was characterized by infrared, UV-Vis, and 1H NMR spectra. The electronic structure of the obtained compound has been calculated using the DFT/TD–DFT method. |
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| Keywords: | Rhenium X-ray structure Electronic structure DFT calculations |
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