Issue 25, 2021
From the journal:

Chemical Communications

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

Xiaolu Chen,ab   Dongru Sun,*ab   Lanping Gao,ab   Yufen Zhao, ORCID logo ab   Sam P. de Visser ORCID logo *c  and  Yong Wang ORCID logo *ab  

* Corresponding authors

a Institute of Drug Discovery Technology, Ningbo University, Ningbo, Zhejiang, China
E-mail: sundongru@nbu.edu.cn, yong@nbu.edu.cn

b Qian Xuesen Collaborative Research Center of Astrochemistry and Space Life Sciences, Ningbo University, Ningbo, Zhejiang, China

c Manchester Institute of Biotechnology and Department of Chemical Engineering and Analytical Science, The University of Manchester, 131 Princess Street, Manchester M1 7DN, UK
E-mail: sam.devisser@manchester.ac.uk

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

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Article information

DOI
https://doi.org/10.1039/D0CC07894H
Article type
Communication
Submitted
04 Dec 2020
Accepted
15 Feb 2021
First published
16 Feb 2021

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

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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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