Formation of a cobalt(III) imido from a cobalt(II) amido complex. Evidence for proton-coupled electron transfer

被引：115

作者：

Cowley, Ryan E.

Bontchev, Ranko P.

Sorrell, John

Sarracino, Orcino

Feng, Yanhua

Wang, Haobin

Smith, Jeremy M. ^{[1
]}

机构：

[1] New Mexico State Univ, Dept Chem & Biochem, Las Cruces, NM 88003 USA

[2] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2007年 / 129卷 / 09期

关键词：

D O I：

10.1021/ja066899n

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The cobalt(II) amido complex, (LCoNHBu)-Bu-t (L = bulky tris(carbene)borate) reacts with the 2,4,6-tri(tertbutyl) phenoxy radical to form the cobalt(III) imido, (LCoNBu)-Bu-t. A computational investigation (SDD and 6-31G*) of possible reaction pathways provides evidence for a mechanism involving concerted proton-coupled electron transfer. The N-H BDE is computationally estimated to be 75 kcal/mol.

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页码：2424 / +

页数：3

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