Crystal structures of MoCl2(O)(O2)(OPMePh2)2 and mixtures of MoCl2(O2)(OPPh3)2 and MoCl2(O)(O2)(OPPh3)2: allylic alcohol isomerization studies using MoCl2(O)(O2)(OPMePh2)2

Adding one equivalent of H2O2 to compounds of stoichiometry MoCl2(O)2(OPR3)2, OPR3 = OPMePh2 or OPPh3, leads to the formation of oxo-peroxo compounds MoCl2(O)(O2)(OPR3)2. These complexes accomplish the isomerization of various allylic alcohols. A mechanism of this reaction has been constructed based on 18O isotopic studies and involves exchange between the alcohol and metal bonded O atoms.