Issue 6, 2008

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

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

Supplementary files

Additions and corrections

Article information

Article type
Communication
Submitted
16 Oct 2007
Accepted
22 Nov 2007
First published
10 Dec 2007

Chem. Commun., 2008, 744-746

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, 744 DOI: 10.1039/B715939K

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