Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(ii)-iodylarene complexes
Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(ii)-iodylarene complexes
复制标题
理论研究揭示了涉及钴(ii)-碘芳烃配合物的氧化反应中不寻常的键合
DOI：
10.1039/d0cc07894h
复制
发表时间：
2021
影响因子：
4.9
通讯作者：
Wang Yong
中科院分区：
文献类型：
--
作者：
Chen Xiaolu;Sun Dongru;Gao Lanping;Zhao Yufen;de Visser Sam P.;Wang Yong
DFT calculations reveal that the iodine of cobalt(II)-iodylarene complexes acts as a directing group via halogen bonding interaction to substrates. A transient 3c-4e bond is formed during oxidation reactions to decrease the activation energy by electron delocalization. Dehydrogenation of dihydroantharacene proceeds via a novel concerted hydride transfer/proton transfer mechanism.
