Elucidation of the mechanism of alkene epoxidation by hydrogen peroxide catalysed by titanosilicates: a computational study

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Duangkamol Tantanak, Mark A. Vincent and Ian H. Hillier


Abstract

Calculated transition states for alkene epoxidation by hydrogen peroxide, catalysed by titanosilicates, predict that it is the oxygen atom of the titanium(IV)–hydroperoxide intermediate closer to the metal centre which attacks the alkene.


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