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dc.contributor.authorAlcalde García, Rafael T. 
dc.contributor.authorAtilhan, Mert .
dc.contributor.authorAparicio Martínez, Santiago 
dc.date.accessioned2018-05-15T09:38:39Z
dc.date.issued2018-05
dc.identifier.issn0167-7322
dc.identifier.urihttp://hdl.handle.net/10259/4783
dc.description.abstractThe characteristics of intermolecular forces in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + ethanol mixtures were studied in the full composition range using a combined experimental and theoretical approach. Molecular clusters were used to model the short-range interactions between the ionic liquid and the primary alcohol, studied using density functional theory calculations, inferring preferred interaction sites, strength of interactions and topological characteristics of intermolecular forces. Dynamic viscosity and refraction index were measured as a function of mixture composition and temperature and analysed in terms of evolution of intermolecular forces. Raman IR studies were carried out and the analysis of selected spectral regions allowed to characterize hydrogen bonding evolution for all the possible interacting sites.en
dc.description.sponsorshipJunta de Castilla y León (Spain, project BU324U14)en
dc.format.mimetypeapplication/pdf
dc.language.isoenges
dc.publisherElsevieren
dc.relation.ispartofJournal of Molecular Liquids. 2018, V. 258, p. 1-9en
dc.subjectIonic liquiden
dc.subjectImidazoliumen
dc.subjectMolecular solventen
dc.subjectMixturesen
dc.subjectDFTen
dc.subjectRamanen
dc.subjectHydrogen bondingen
dc.titleIntermolecular forces in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + ethanol mixturesen
dc.typeArtículoes
dc.typeinfo:eu-repo/semantics/article
dc.date.embargo2020-05
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.relation.publisherversionhttps://doi.org/10.1016/j.molliq.2018.02.064
dc.identifier.doi10.1016/j.molliq.2018.02.064
dc.relation.projectIDhttps://doi.org/10.1016/j.molliq.2018.02.064
dc.relation.projectID10.1016/j.molliq.2018.02.064
dc.relation.projectIDinfo:eu-repo/grantAgreement/JCyL/BU324U14
dc.type.hasVersioninfo:eu-repo/semantics/acceptedVersionen


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