{"title":"Why is acyl fluoride favored in NHC/photoredox catalysis?","authors":"","doi":"10.1016/j.jcat.2024.115776","DOIUrl":null,"url":null,"abstract":"<div><div>Recent advances in N-heterocyclic carbene (NHC)/photoredox catalyzed acylation have underlined the special reactivity of acyl fluoride compared with other acyl halides. Though safer and more convenient, acyl chloride is rarely used with NHC in known references. In a recent work, Studer et al. confirmed that acyl chloride and bromide are inactive in NHC/photoredox acylation, yet reason remains unknown. Herein, computational results showed that [1,2]-fluorine migration intermediate should be responsible for the unique role of acyl fluoride.</div></div>","PeriodicalId":346,"journal":{"name":"Journal of Catalysis","volume":null,"pages":null},"PeriodicalIF":6.5000,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Catalysis","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0021951724004895","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Recent advances in N-heterocyclic carbene (NHC)/photoredox catalyzed acylation have underlined the special reactivity of acyl fluoride compared with other acyl halides. Though safer and more convenient, acyl chloride is rarely used with NHC in known references. In a recent work, Studer et al. confirmed that acyl chloride and bromide are inactive in NHC/photoredox acylation, yet reason remains unknown. Herein, computational results showed that [1,2]-fluorine migration intermediate should be responsible for the unique role of acyl fluoride.
期刊介绍：
The Journal of Catalysis publishes scholarly articles on both heterogeneous and homogeneous catalysis, covering a wide range of chemical transformations. These include various types of catalysis, such as those mediated by photons, plasmons, and electrons. The focus of the studies is to understand the relationship between catalytic function and the underlying chemical properties of surfaces and metal complexes.
The articles in the journal offer innovative concepts and explore the synthesis and kinetics of inorganic solids and homogeneous complexes. Furthermore, they discuss spectroscopic techniques for characterizing catalysts, investigate the interaction of probes and reacting species with catalysts, and employ theoretical methods.
The research presented in the journal should have direct relevance to the field of catalytic processes, addressing either fundamental aspects or applications of catalysis.
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