The rebound mechanism in catalytic C-H oxidation by MnO(tpp) Cl from DFT studies: electronic nature of the active species

被引：70

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, F-34095 Montpellier, France

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

来源：

CHEMICAL COMMUNICATIONS | 2008年 / 06期

关键词：

D O I：

10.1039/b715939k

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

DFT studies show that the rebound mechanism for MnO(tpp)(Cl)-catalyzed C-H hydroxylation is favored for spin states with oxyl character.

引用

页码：744 / 746

页数：3

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