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Issue 6, 2008
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The rebound mechanism in catalytic C–H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species

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Abstract

DFT studies show that the rebound mechanism for MnO(tpp)(Cl)-catalyzed C–H hydroxylation is favored for spin states with oxyl character.

Graphical abstract: The rebound mechanism in catalytic C–H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species

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Publication details

The article was received on 16 Oct 2007, accepted on 22 Nov 2007 and first published on 10 Dec 2007


Article type: Communication
DOI: 10.1039/B715939K
Citation: Chem. Commun., 2008,0, 744-746
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    The rebound mechanism in catalytic C–H oxidation by MnO(tpp)Cl from DFT studies: electronic nature of the active species

    D. Balcells, C. Raynaud, R. H. Crabtree and O. Eisenstein, Chem. Commun., 2008, 0, 744
    DOI: 10.1039/B715939K

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