Switch From Pauli‐Lowering to LUMO‐Lowering Catalysis in Brønsted Acid‐Catalyzed Aza‐Diels‐Alder Reactions

Brønsted acid‐catalyzed inverse‐electron demand (IED) aza‐Diels‐Alder reactions between 2‐aza‐dienes and ethylene were studied using quantum chemical calculations. The computed activation energy systematically decreases as the basic sites of the diene progressively become protonated. Our activation...

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Detalles Bibliográficos
Autores principales: Yu, Song, Bickelhaupt, F. Matthias, Hamlin, Trevor A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340067/
https://www.ncbi.nlm.nih.gov/pubmed/34351072
http://dx.doi.org/10.1002/open.202100172

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340067/
https://www.ncbi.nlm.nih.gov/pubmed/34351072
http://dx.doi.org/10.1002/open.202100172

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