Mechanistic insights into β-oxygen atom transfer in olefinepoxidation mediated by W( vi ) complexes and H 2 O 2
Résumé
A DFT investigation of the olefin epoxidation mechanism catalysed by the [Cp*WO(OH)2]+ complex with H2O2 reveals that the outer sphere transfer of the hydroperoxido Ob atom to the olefin is considerably more favourable than that of the hydroperoxido Oa atom. The reasons for this unusual pathway are discussed.
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