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Updated: Nov 16, 2025

Reaction Kinetics and Combustion Dynamics of I4O9 and Aluminum Mixtures
Published on: November 7, 2016
Theoretical studies unveil the unusual bonding in oxygenation reactions involving cobalt(ii)-iodylarene complexes
Xiaolu Chen1, Dongru Sun, Lanping Gao
1Institute of Drug Discovery Technology, Ningbo University, Ningbo, Zhejiang, China. sundongru@nbu.edu.cn yong@nbu.edu.cn.
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.
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