Formation of PPh2C6F5 through Phosphido Platinum and/or Palladium(III) Intermediates
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The two-electron oxidation reactions of the neutral [(C6F5)2M(-PR2)2M'(NCCH3)2] (M = M' = Pt orPd, M = Pt, M' = Pd) complexes using I2 as oxidant have been investigated by experimental (R = Ph)and electronic structure calculation methods (R = H). It was found that a reductive coupling of PR2 andC6F5 takes place along the reaction pathway for all oxidized complexes. The most salient structural featuresof the [(C6F5)2Pt(-PR2)2Pd(C6F5)2]2-, [(C6F5)2Pd(-PR2)2Pd(acac)]-, and [(C6F5)2Pt(-PR2)2PtI2] complexes(experimental R = Ph) are reproduced very well by the B3LYP/lanl2dz calculations (R = H).

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