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非血红素铁（V）-氧络合物催化烷烃羟基化反应的机理洞察

Mechanistic insight into the hydroxylation of alkanes by a nonheme iron(V)-oxo complex.

作者信息

Kwon Eunji, Cho Kyung-Bin, Hong Seungwoo, Nam Wonwoo

机构信息

Department of Chemistry and Nano Science, Ewha Womans University, Seoul 120-750, Korea.

出版信息

Chem Commun (Camb). 2014 May 30;50(42):5572-5. doi: 10.1039/c4cc01058b.

DOI:10.1039/c4cc01058b
PMID:24722791
Abstract

Hydroxylation of alkanes by a mononuclear nonheme iron(V)-oxo complex, Fe(V)(O)(TAML), is initiated by a rate-determining hydrogen atom (H-atom) abstraction, followed by an oxygen non-rebound process. Evidence for the H-atom abstraction-oxygen non-rebound mechanism is obtained experimentally and supported by DFT calculations.

摘要

单核非血红素铁（V）-氧配合物[Fe(V)(O)(TAML)]（-）使烷烃发生羟基化反应，该反应由速率决定步骤的氢原子（H-原子）提取引发，随后是氧非反弹过程。通过实验获得了氢原子提取-氧非反弹机制的证据，并得到了密度泛函理论（DFT）计算的支持。

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