Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV=O complex

被引：150

作者：

Decker, A

Rohde, JU

Que, L

Solomon, EI ^{[1
]}

机构：

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

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

[3] Stanford Univ, Dept Chem, Stanford, CA 94305 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2004年 / 126卷 / 17期

关键词：

D O I：

10.1021/ja0498033

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

High valent FeIV=O species are key intermediates in the catalytic cycles of many mononuclear non-heme iron enzymes involving the binding and activation of dioxygen. Using variable temperature magnetic circular dichroism (VT MCD) spectroscopy and experimentally calibrated density functional calculations, we are able to present the first detailed description of the electronic structure of a non-heme FeIV=O S = 1 complex. These studies define the nature of the FeIV=O bond and present the basis for understanding high-valent oxygen intermediates in non-heme iron enzymes. Copyright © 2003 American Chemical Society.

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页码：5378 / 5379

页数：2

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