C-H oxidation by hydroxo manganese(v) porphyrins: a DFT study

被引：41

作者：

Balcells, David ^{[1
]}

Raynaud, Christophe ^{[1
]}

Crabtree, Robert H. ^{[2
]}

Eisenstein, Odile ^{[1
]}

机构：

[1] Univ Montpellier 2, Inst Charles Gerhardt, CNRS 5253, F-34095 Montpellier, France

[2] Yale Univ, Dept Chem, New Haven, CT USA

来源：

CHEMICAL COMMUNICATIONS | 2009年 / 13期

基金：

美国国家科学基金会;

关键词：

O BOND FORMATION; METAL-OXO; TEMPERATURE-DEPENDENCE; COMPOUND-I; MECHANISM; CYTOCHROME-P450; HYDROXYLATION; REACTIVITY; ABSTRACTION; TAUTOMERISM;

D O I：

10.1039/b821029b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A DFT study on toluene oxidation by Mn(v) porphyrins shows that both Mn-V(O) and, remarkably, Mn-V(OH) are potent H-atom abstractors.

引用

页码：1772 / 1774

页数：3

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