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

IF 5 1区化学 Q1 CHEMISTRY, ORGANIC Organic Letters Pub Date : 2024-12-23 DOI:10.1021/acs.orglett.4c04222

Feng Zhang, Xiu-Fen Cheng, Xiaolin Liang, Duo-Duo Hu, Qian Gao, Hongliang Wang, Peng Wu, Yan Li

引用次数: 0

Abstract

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.

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基于密度泛函理论/时间依赖密度泛函理论的光诱导自促进镍催化三组分芳基磺化模拟光活性镍物种

采用密度泛函理论(DFT)/时变密度泛函理论（TD-DFT）计算模拟了新型光活性镍的结构。研究了简化光活性镍催化剂在1,6-烯三组分芳基磺化反应中的应用。该反应是自动促进的，在没有额外光催化剂的情况下进行。该方法具有条件温和、底物范围广、效率高等特点。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Organic Letters 化学-有机化学

CiteScore

9.30

自引率

11.50%

发文量

1607

审稿时长

1.5 months

期刊介绍： Organic Letters invites original reports of fundamental research in all branches of the theory and practice of organic, physical organic, organometallic,medicinal, and bioorganic chemistry. Organic Letters provides rapid disclosure of the key elements of significant studies that are of interest to a large portion of the organic community. In selecting manuscripts for publication, the Editors place emphasis on the originality, quality and wide interest of the work. Authors should provide enough background information to place the new disclosure in context and to justify the rapid publication format. Back-to-back Letters will be considered. Full details should be reserved for an Article, which should appear in due course.