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Mechanistic insights into β-oxygen atom transfer in olefinepoxidation mediated by W(vi) complexes and H2O2†
Lionel Perrin
Dalton Transactions Pub Date : 12/07/2011 00:00:00 , DOI:10.1039/C1DT10924C
Abstract

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 Oβ atom to the olefin is considerably more favourable than that of the hydroperoxido Oα atom. The reasons for this unusual pathway are discussed.

Graphical abstract: Mechanistic insights into β-oxygen atom transfer in olefin epoxidation mediated by W(vi) complexes and H2O2
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