New aqua rhenium oxocomplex; synthesis,characterization, thermal studies,DFT calculations and catalytic oxidations |
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| Authors: | Refat Mahfouz Eida Al-Frag M Rafiq H Siddiqui Waed Z Al-kiali O Karama |
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| Institution: | Department of Chemistry, College of Science, P.O. Box 2455, King Saud University, Riyadh 11451, Saudi Arabia |
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| Abstract: | The aqua rhenium oxocomplex ReO(OH)(H2O)4]2? (1) has been prepared and characterized by spectroscopy, thermogravimetry, and elemental analysis and its reactivity towards triphenylphosphine has been evaluated. Complex (1) acts as a catalyst precursor in the presence of molecular oxygen for the oxidation of PPh3 to OPPh3. This proceeds through complex intermediates like Re(PPh3)n]3+ (2), and ReO(PPh3)n]3+ (3). The newly prepared complex (1) was also employed as catalyst for catalytic oxidation of cyclohexane. The geometry of ReO(OH)(H2O)4]2? has also been optimized in the singlet state by the DFT method with B3LYP level of theory. |
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| Keywords: | Rhenium Complexes Catalysis Oxidation DFT calculations |
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