Exploring borderline SN1–SN2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride
Karine Nascimento de Andrade,
Bárbara Pereira Peixoto,
José Walkimar de Mesquita Carneiro
et al.
Abstract:We explored borderline SNX reactions quantum-chemically, revealing a preferred dissociative-SN2 pathway controlled by solute–solvent interactions through various solvation models.
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.