S(N)2 versus E2 Competition of F(–) and PH(2)(–) Revisited

[Image: see text] We have quantum chemically analyzed the competition between the bimolecular nucleophilic substitution (S(N)2) and base-induced elimination (E2) pathways for F(–) + CH(3)CH(2)Cl and PH(2)(–) + CH(3)CH(2)Cl using the activation strain model and Kohn–Sham molecular orbital theory at Z...

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Pubblicato in:J Org Chem
Autori principali: Vermeeren, Pascal, Hansen, Thomas, Grasser, Maxime, Silva, Daniela Rodrigues, Hamlin, Trevor A., Bickelhaupt, F. Matthias
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Chemical Society 2020
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC7656514/
https://ncbi.nlm.nih.gov/pubmed/33079542
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.joc.0c02112
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