C–H oxidation by hydroxo manganese(V) porphyrins: a DFT study

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Chemical Communications

Issue 13, 2009

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David Balcells , Christophe Raynaud , Robert H. Crabtree and Odile Eisenstein

Chem. Commun., 2009, 1772-1774

DOI: 10.1039/B821029B
Received 25 Nov 2008, Accepted 29 Jan 2009
First published on the web 17 Feb 2009

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A DFT study on toluene oxidation by Mn(V) porphyrins shows that both Mn^V(O) and, remarkably, Mn^V(OH) are potent H-atom abstractors.

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