Factors Controlling the Diels–Alder Reactivity of Hetero‐1,3‐Butadienes

We have quantum chemically explored the Diels–Alder reactivities of a systematic series of hetero‐1,3‐butadienes with ethylene by using density functional theory at the BP86/TZ2P level. Activation strain analyses provided physical insight into the factors controlling the relative cycloaddition react...

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Detalles Bibliográficos
Autores principales: Yu, Song, de Bruijn, Hans M., Svatunek, Dennis, Hamlin, Trevor A., Bickelhaupt, F. Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Full Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6276106/
https://www.ncbi.nlm.nih.gov/pubmed/30524925
http://dx.doi.org/10.1002/open.201800193

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6276106/
https://www.ncbi.nlm.nih.gov/pubmed/30524925
http://dx.doi.org/10.1002/open.201800193

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