Formation of a cobalt(III) imido from a cobalt(II) amido complex. Evidence for proton-coupled electron transfer
Formation of a cobalt(III) imido from a cobalt(II) amido complex. Evidence for proton-coupled electron transfer
复制标题
DOI：
10.1021/ja066899n
复制
发表时间：
2007-03-07
影响因子：
15
通讯作者：
Smith, Jeremy M.
中科院分区：
文献类型：
--
作者：
Cowley, Ryan E.;Bontchev, Ranko P.;Smith, Jeremy M.
钴（II）酰胺络合物（LCoNHBu）-Bu-t（L =大体积三（卡宾）硼酸酯）与2，4，6-三（叔丁基）苯氧基反应形成钴（III）亚氨基（LCoNBu）-Bu-t。可能的反应途径的计算调查（SDD和6- 31 G *）提供了证据，涉及协同质子耦合电子转移的机制。N-H BDE的计算值估计为75 kcal/mol。
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.