S(N)2 versus S(N)2′ Competition

[Image: see text] We have quantum chemically explored the competition between the S(N)2 and S(N)2′ pathways for X(–) + H(2)C=CHCH(2)Y (X, Y = F, Cl, Br, I) using a combined relativistic density functional theory and coupled-cluster theory approach. Bimolecular nucleophilic substitution reactions at...

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Detalles Bibliográficos
Autores principales: Hansen, Thomas, Vermeeren, Pascal, de Jong, Lea, Bickelhaupt, F. Matthias, Hamlin, Trevor A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9295157/
https://www.ncbi.nlm.nih.gov/pubmed/35748807
http://dx.doi.org/10.1021/acs.joc.2c00527

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9295157/
https://www.ncbi.nlm.nih.gov/pubmed/35748807
http://dx.doi.org/10.1021/acs.joc.2c00527

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