Exploring borderline S1-S2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride

Nucleophilic substitution at saturated carbon is a crucial class of organic reactions, playing a pivotal role in various chemical transformations that yield valuable compounds for society. Despite the well-established S N 1 and S N 2 mechanisms, secondary substrates, particularly in solvolysis react...

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Veröffentlicht in:	RSC advances 2024-02, Vol.14 (7), p.4692-471
Hauptverfasser:	de Andrade, Karine Nascimento, Peixoto, Bárbara Pereira, Carneiro, José Walkimar de Mesquita, Fiorot, Rodolfo Goetze
Format:	Artikel
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