Insights into the Three-Component Coupling Reactions of Aldehydes, Alkynes, and Amines Catalyzed by N-heterocyclic Carbene Silver: A DFT Study

Insights into the Three-Component Coupling Reactions of Aldehydes, Alkynes, and Amines Catalyzed by N-heterocyclic Carbene Silver: A DFT Study

Density functional theory (DFT) was used to investigate the three-component coupling reactions of aldehydes, alkynes, and amines (A3 coupling) using N-heterocyclic carbene silver as the catalyst. This study reveals that the addition reaction between the catalyst N-heterocyclic carbene silver and phe...

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Bibliographic Details
Main Authors: Chenggen Zhang, Shuyuan Yu, Fei Wang, Jian Cao, Xinru Liang, Fuping Wang, Huimin Zheng, Yaning Zhang, Mengyao Yang, Boyu Zhao
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Catalysts
Subjects:
A3 coupling reaction
N-heterocyclic carbene silver
reaction mechanism
DFT calculations
Online Access:https://www.mdpi.com/2073-4344/13/4/646

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