Computational Studies of Coinage Metal Anion M<sup>−</sup> + CH<sub>3</sub>X (X = F, Cl, Br, I) Reactions in Gas Phase

Computational Studies of Coinage Metal Anion M<sup>−</sup> + CH<sub>3</sub>X (X = F, Cl, Br, I) Reactions in Gas Phase

We characterized the stationary points along the nucleophilic substitution (S<sub>N</sub>2), oxidative insertion (OI), halogen abstraction (XA), and proton transfer (PT) product channels of M<sup>−</sup> + CH<sub>3</sub>X (M = Cu, Ag, Au; X = F, Cl, Br, I) reactio...

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Bibliographic Details
Main Authors: Fan Wang, Xiaoyan Ji, Fei Ying, Jiatao Zhang, Chongyang Zhao, Jing Xie
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Molecules
Subjects:
C−X bond activation
oxidative insertion
nucleophilic substitution reaction
natural bond orbital
halogen-bonded complex
Online Access:https://www.mdpi.com/1420-3049/27/1/307

Internet

https://www.mdpi.com/1420-3049/27/1/307

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