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

被引：16

作者：

Ghosh, A ^{[1
]}

Tangen, E

Gonzalez, E

Que, L

机构：

[1] Univ Tromso, Dept Chem, N-9037 Tromso, Norway

[2] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

[3] Univ Minnesota, Ctr Met Biocatalysis, Minneapolis, MN 55455 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2004年 / 43卷 / 07期

关键词：

density functional calculations; iron; O ligands; porphyrinoids;

D O I：

10.1002/anie.200351768

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Insight Into the electronic structures of I high-valent intermediates with the {FeIV2(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."

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页码：834 / 838

页数：5

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