Models of high-valent intermediates of non-heme diiron alkane monooxygenases: Electronic structure of a bis(μ-oxo)diron(IV) complex with locally low-spin metal centers

Abhik Ghosh; Espen Tangen; Emmanuel Gonzalez; Lawrence Que

doi:10.1002/anie.200351768

Models of high-valent intermediates of non-heme diiron alkane monooxygenases: Electronic structure of a bis(μ-oxo)diron(IV) complex with locally low-spin metal centers

Abhik Ghosh, Espen Tangen, Emmanuel Gonzalez, Lawrence Que

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

15 Scopus citations

Abstract

Insight Into the electronic structures of I high-valent intermediates with the {Fe^IV₂(μ-O)₂} "diamond core" is provided by density theory calculations. These electronic structures are contrasted with nitrido-bridged heme dimers that contain metal centers with the same oxidation state. Such diamond-core intermediates might actually occur in the catalytic cycles of diiron alkane monooxygenases such as AlkB.

Original language	English (US)
Pages (from-to)	834-838
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	43
Issue number	7
DOIs	https://doi.org/10.1002/anie.200351768
State	Published - Feb 6 2004

Keywords

Density functional calculations
Iron
O ligands
Porphyrinoids

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10.1002/anie.200351768

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Models of high-valent intermediates of non-heme diiron alkane monooxygenases : Electronic structure of a bis(μ-oxo)diron(IV) complex with locally low-spin metal centers. / Ghosh, Abhik; Tangen, Espen; Gonzalez, Emmanuel; Que, Lawrence.

In: Angewandte Chemie - International Edition, Vol. 43, No. 7, 06.02.2004, p. 834-838.

Research output: Contribution to journal › Article › peer-review

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Models of high-valent intermediates of non-heme diiron alkane monooxygenases: Electronic structure of a bis(μ-oxo)diron(IV) complex with locally low-spin metal centers

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