A (TD-)DFT study on photo-NHC catalysis: photoenolization/Diels–Alder reaction of acid fluorides catalyzed by N-heterocyclic carbenes

A comprehensive mechanistic study on the N-heterocyclic carbene (NHC) catalyzed photoenolization/Diels–Alder (PEDA) reaction of acid fluorides was performed in the framework of (time-dependent) density functional theory ((TD)-DFT). The 1,5-hydrogen atom transfer (1,5-HAT) during photoenolization of...

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Detalles Bibliográficos
Autores principales: Mavroskoufis, Andreas, Lohani, Manish, Weber, Manuela, Hopkinson, Matthew N., Götze, Jan P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10094231/
https://www.ncbi.nlm.nih.gov/pubmed/37063806
http://dx.doi.org/10.1039/d2sc04732b

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10094231/
https://www.ncbi.nlm.nih.gov/pubmed/37063806
http://dx.doi.org/10.1039/d2sc04732b

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