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Cation folding and the thermal stability limit of the ionic liquid [BMIM(+)][BF(4)(−)] under total vacuum

Molecular dynamics simulations reveal the behavior of the bimodal distribution of cation conformations (folded/unfolded) in ionic liquids based on alkylated imidazoles, such as [BMIM(+)][BF(4)(−)]. The alkyl chains of the cations can fold and block interactions between the cations and anions, thereb...

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Detalles Bibliográficos
Autores principales:	Arroyo-Valdez, J. Alberto, Viramontes-Gamboa, Gonzalo, Guerra-Gonzalez, Roberto, Ramos-Estrada, Mariana, Lima, Enrique, Rivera, José L.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8697363/ https://www.ncbi.nlm.nih.gov/pubmed/35423826 http://dx.doi.org/10.1039/d1ra00741f

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