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  5. Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes

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Article
English
2010

Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes

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English
2010
Angewandte Chemie International Edition
Vol 49 (33)
DOI: 10.1002/anie.201001850

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Frank Neese
Frank Neese

Max Planck

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Caiyun Geng
Shengfa Ye
Frank Neese

Abstract

New high-spin pathways: All four feasible reaction pathways for alkane hydroxylation by nonheme iron(IV)–oxo complexes have been investigated by computational methods. The triplet σ path is too high in energy to be involved in CH bond activation, but the reactivity of the quintet π channel competes with the triplet path and may thus offer a new approach for specific control of CH bond activation by iron(IV)–oxo species (see scheme).

How to cite this publication

Caiyun Geng, Shengfa Ye, Frank Neese (2010). Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)–Oxo Complexes. Angewandte Chemie International Edition, 49(33), pp. 5717-5720, DOI: 10.1002/anie.201001850.

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Publication Details

Type

Article

Year

2010

Authors

3

Datasets

0

Total Files

0

Language

English

Journal

Angewandte Chemie International Edition

DOI

10.1002/anie.201001850

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