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S=2 氧代铁(IV)配合物中通过交换增强反应性促进 C-H 键活化的基本作用。

The fundamental role of exchange-enhanced reactivity in C-H activation by S=2 oxo iron(IV) complexes.

机构信息

Department of Organic Chemistry and The Lise Meitner-Minerva Center for Computational Quantum Chemistry, The Hebrew University, Jerusalem, 91904 Israel.

出版信息

Angew Chem Int Ed Engl. 2010 Apr 26;49(19):3342-5. doi: 10.1002/anie.201000004.

DOI:10.1002/anie.201000004
PMID:20358569
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2882195/
Abstract

It is shown that H-abstraction reactivity by oxoiron(IV) complexes with a quintet ground state is highly enhanced due to exchange-stabilization . It is postulated that nonheme enzymes evolved to make use of this fundamental mechanism in activation of strong C-H bonds.

摘要

研究表明，由于交换稳定化作用，具有五重态基态的偕氧铁（IV）配合物的 H 提取反应性得到了极大的增强。人们推测，非血红素酶的进化是为了利用这种基本机制来激活强 C-H 键。

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Quantum chemical studies of C-H activation reactions by high-valent nonheme iron centers.高价非血红素铁中心催化C-H活化反应的量子化学研究
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