New aqua rhenium oxocomplex; synthesis, characterization, thermal studies, DFT calculations and catalytic oxidations

作者：Mahfouz Refat; Al Frag Eida; Siddiqui M Rafiq H^*; Al kiali Waed Z; Karama O

来源：Arabian Journal of Chemistry, 2011, 4(1): 119-124.

DOI：10.1016/j.arabjc.2010.07.001

• Rhenium
• Complexes
• Catalysis
• Oxidation
• DFT calculations

The aqua rhenium oxocomplex [ReO(OH)(H(2)O)(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 PPh(3) to OPPh(3). This proceeds through complex intermediates like [Re(PPh(3))(n)](3+) (2), and [ReO(PPh(3))(n)](3+) (3). The newly prepared complex (1) was also employed as catalyst for catalytic oxidation of cyclohexane. The geometry of [ReO(OH)(H(2)O)(4)](2-) has also been optimized in the singlet state by the DFT method with B3LYP level of theory.

• 出版日期2011-1