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Computational investigation of the role of fluoride in Tamao oxidations

Wiley - V C H Verlag GmbH & Co. KGaA
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  • Computer Science


The Tamao oxidation of alkoxysilanes was investigated computationally to determine the role of fluoride. a key additive. in this reaction. A sequence of fluoride equilibria as well as possible transition states. mediated by basic and neutral peroxide, respectively, were examined, and a potential energy surface was calculated which was consistent with the typical synthetic methods required for the conversion of alkoxysilanes to alcohols.

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