Structures of nonheme oxoiron(IV) complexes from x-ray crystallography, NMR spectroscopy, and DFT calculations

被引：232

作者：

Klinker, EJ

Kaizer, J

Brennessel, WW

Woodrum, NL

Cramer, CJ

Que, L

机构：

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

[2] Univ Minnesota, Inst Supercomp, Minneapolis, MN 55455 USA

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

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 24期

关键词：

D O I：

10.1002/anie.200500485

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) Stabilizing the oxoiron(IV) unit: From a combination of X-ray crystallography, NMR spectroscopy, and DFT calculations, the relative thermal stabilities of two oxoiron(IV) complexes with pentaaza ligands, such as that shown in the picture, can be ascribed to the number of pyridine rings that are oriented parallel to the Fe= O bond. (Fe pink, N blue, O red, C black.). © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：3690 / 3694

页数：5

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