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

Mu Jeng Cheng; Ross Fu; William A. Goddard

doi:10.1039/c3cc47502f

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

Mu Jeng Cheng, Ross Fu, William A. Goddard

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

17 Citations (Scopus)

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.

Original language	English
Pages (from-to)	1748-1750
Number of pages	3
Journal	Chemical Communications
Volume	50
Issue number	14
DOIs	https://doi.org/10.1039/c3cc47502f
Publication status	Published - 2014 Jan 21

All Science Journal Classification (ASJC) codes

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
Chemistry(all)
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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AB - 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.

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

Abstract

All Science Journal Classification (ASJC) codes

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