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Issue 6, 2011
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A mononuclear nonheme iron(iv)-oxo complex which is more reactive than cytochrome P450 model compound I

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Abstract

A highly reactive mononuclear nonheme iron(IV)-oxo complex with a low-spin (S = 1) triplet ground state in both C–H bond activation and oxo transfer reactions is reported; this nonheme iron(IV)-oxo complex is more reactive than an iron(IV)-oxo porphyrin π-cation radical (i.e., a model of cytochrome P450 compound I) and is the most reactive species in kinetic studies among nonheme iron(IV)-oxo complexes reported so far. DFT calculations support the experimental results with extremely low activation barriers in the C–H bond activation of cyclohexane and 1,4-cyclohexadiene. The DFT calculations reveal that the S = 1 state is set up to easily lead to the highly reactive S = 2 high-spin iron(IV)-oxo species.

Graphical abstract: A mononuclear nonheme iron(iv)-oxo complex which is more reactive than cytochrome P450 model compound I

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Publication details

The article was received on 29 Jan 2011, accepted on 11 Mar 2011 and first published on 01 Apr 2011


Article type: Edge Article
DOI: 10.1039/C1SC00062D
Chem. Sci., 2011,2, 1039-1045

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    A mononuclear nonheme iron(IV)-oxo complex which is more reactive than cytochrome P450 model compound I

    M. S. Seo, N. H. Kim, K. Cho, J. E. So, S. K. Park, M. Clémancey, R. Garcia-Serres, J. Latour, S. Shaik and W. Nam, Chem. Sci., 2011, 2, 1039
    DOI: 10.1039/C1SC00062D

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