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

Cheng, Mu-Jeng and Fu, Ross and Goddard, William A., III (2013) Design and validation of non-metal oxo complexes for C–H activation. Chemical Communications, 50 (14). pp. 1748-1750. ISSN 1359-7345. doi:10.1039/c3cc47502f.

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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.

Item Type:Article
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URLURL TypeDescription
Cheng, Mu-Jeng0000-0002-8121-0485
Goddard, William A., III0000-0003-0097-5716
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.
Funding AgencyGrant Number
Department of Energy (DOE)DE-SC0001298
Issue or Number:14
Record Number:CaltechAUTHORS:20140109-120001059
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Official Citation:Cheng, M.-J., Fu, R., & Goddard, I. I. I. W. A. (2014). Design and validation of non-metal oxo complexes for C-H activation. Chemical Communications, 50(14), 1748-1750. doi: 10.1039/c3cc47502f
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:43296
Deposited By: Tony Diaz
Deposited On:10 Jan 2014 17:30
Last Modified:10 Nov 2021 16:35

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