Issue 25, 2021

Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(ii)-iodylarene complexes

Abstract

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.

Graphical abstract: Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(ii)-iodylarene complexes

Supplementary files

Article information

Article type
Communication
Submitted
04 12月 2020
Accepted
15 2月 2021
First published
16 2月 2021

Chem. Commun., 2021,57, 3115-3118

Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(II)-iodylarene complexes

X. Chen, D. Sun, L. Gao, Y. Zhao, S. P. de Visser and Y. Wang, Chem. Commun., 2021, 57, 3115 DOI: 10.1039/D0CC07894H

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