Nickel-Catalyzed Three-Component Unsymmetrical Bis-Allylation of Alkynes with Alkenes: A Density Functional Theory Study

Nickel-Catalyzed Three-Component Unsymmetrical Bis-Allylation of Alkynes with Alkenes: A Density Functional Theory Study

Density functional theory (DFT) characterizations were employed to resolve the structural and energetic aspects and product selectivities along the mechanistic reaction paths of the nickel-catalyzed three-component unsymmetrical bis-allylation of alkynes with alkenes. Our putative mechanism initiate...

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Bibliographic Details
Main Authors: Tao Yu, Jingxuan Zhang, Guo Liu, Liangfei Duan, Kun V. Tian, Gregory A. Chass, Weihua Mu
Format: Article
Language:English
Published: MDPI AG 2024-03-01
Series:Molecules
Subjects:
nickel catalysis
NHC
three-component reaction
mechanism
selectivities
dual descriptors
Online Access:https://www.mdpi.com/1420-3049/29/7/1475

Internet

https://www.mdpi.com/1420-3049/29/7/1475

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