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Published December 18, 2013 | Supplemental Material + Published
Journal Article Open

Design and validation of non-metal oxo complexes for C–H activation

Abstract

We use our recent discovery of the reduction-coupled oxo activation (ROA) principle to design a series of organometallic molecules that activate C–H bonds through this unique proton/electron-decoupled hydrogen abstraction mechanism, in which the main group oxo moiety binds to the proton while the electron is transferred to the transition metal. Here we illustrate this general class of catalyst clusters with several examples that are validated through quantum mechanics calculations.

Additional Information

© 2014 The Royal Society of Chemistry. Received 30th September 2013; Accepted 17th December 2013; First published online 18 Dec 2013. Financial support from the Center for Catalytic Hydrocarbon Functionalization, an Energy Frontier Research Center, DOE DE-SC0001298, is gratefully acknowledged.

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Supplemental Material - c3cc47502fsupp.pdf

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August 19, 2023
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