A Theoretical Insight into the Mechanism of Cu(I)-Catalyzed CN Coupling between Aryl Halides and Aqueous Ammonia

Computational investigations of Cu(I)‐catalyzed CN coupling between aryl halides and aqueous ammonia without addition of any base or ligand were reported. Density functional theory calculations were performed to reveal the mechanism of the ligand‐free amination reaction for the preparation of prima...

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Veröffentlicht in:	Chinese journal of chemistry 2015-08, Vol.33 (8), p.961-966
Hauptverfasser:	Chen, Ting, Yan, Mingkuan, Zheng, Chao, Yuan, Jie, Xu, Shen, Chen, Runfeng, Huang, Wei
Format:	Artikel
Sprache:	eng
Schlagworte:	amination catalytic mechanism Cu(I)-catalyzed coupling CN cross coupling DFT
Online-Zugang:	Volltext
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