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How Ionization Catalyzes Diels‐Alder Reactions

The catalytic effect of ionization on the Diels‐Alder reaction between 1,3‐butadiene and acrylaldehyde has been studied using relativistic density functional theory (DFT). Removal of an electron from the dienophile, acrylaldehyde, significantly accelerates the Diels‐Alder reaction and shifts the rea...

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Detalles Bibliográficos
Autores principales: Vermeeren, Pascal, Hamlin, Trevor A., Bickelhaupt, F. Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9400981/
https://www.ncbi.nlm.nih.gov/pubmed/35442551
http://dx.doi.org/10.1002/chem.202200987