Photoinduced Autopromoted Ni-Catalyzed Three-Component Arylsulfonation Inspired by Density Functional Theory/Time-Dependent Density Functional Theory-Simulated Photoactive Nickel Species

The structure of the novel photoactive nickel species was simulated by density functional theory (DFT)/time-dependent density functional theory (TD-DFT) calculations. The application of the simplified photoactive nickel catalyst was demonstrated in a photoinduced nickel-catalyzed three-component ary...

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Bibliographic Details
Published in:Organic letters 2024-12
Main Authors: Zhang, Feng, Cheng, Xiu-Fen, Liang, Xiaolin, Hu, Duo-Duo, Gao, Qian, Wang, Hongliang, Wu, Peng, Li, Yan
Format: Article
Language:English
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Summary:The structure of the novel photoactive nickel species was simulated by density functional theory (DFT)/time-dependent density functional theory (TD-DFT) calculations. The application of the simplified photoactive nickel catalyst was demonstrated in a photoinduced nickel-catalyzed three-component arylsulfonation of 1,6-enynes. This reaction was autopromoted and proceeded in the absence of an additional photocatalyst. This methodology exhibited mild conditions, a broad substrate scope, and high efficiency.
ISSN:1523-7060
1523-7052
1523-7052
DOI:10.1021/acs.orglett.4c04222