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| dc.contributor.author | Alcalde García, Rafael T. | |
| dc.contributor.author | Atilhan, Mert | |
| dc.contributor.author | Aparicio Martínez, Santiago | |
| dc.date.accessioned | 2018-05-15T09:38:39Z | |
| dc.date.issued | 2018-05 | |
| dc.identifier.issn | 0167-7322 | |
| dc.identifier.uri | http://hdl.handle.net/10259/4783 | |
| dc.description.abstract | The 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.sponsorship | Junta de Castilla y León (Spain, project BU324U14) | en |
| dc.format.mimetype | application/pdf | |
| dc.language.iso | eng | es |
| dc.publisher | Elsevier | en |
| dc.relation.ispartof | Journal of Molecular Liquids. 2018, V. 258, p. 1-9 | en |
| dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 International | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.subject | Ionic liquid | en |
| dc.subject | Imidazolium | en |
| dc.subject | Molecular solvent | en |
| dc.subject | Mixtures | en |
| dc.subject | DFT | en |
| dc.subject | Raman | en |
| dc.subject | Hydrogen bonding | en |
| dc.subject.other | Chemistry, Physical and theoretical | en |
| dc.subject.other | Química física | es |
| dc.title | Intermolecular forces in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + ethanol mixtures | en |
| dc.type | info:eu-repo/semantics/article | |
| dc.date.embargo | 2020-05 | |
| dc.rights.accessRights | info:eu-repo/semantics/openAccess | |
| dc.relation.publisherversion | https://doi.org/10.1016/j.molliq.2018.02.064 | |
| dc.identifier.doi | 10.1016/j.molliq.2018.02.064 | |
| dc.relation.projectID | https://doi.org/10.1016/j.molliq.2018.02.064 | |
| dc.relation.projectID | 10.1016/j.molliq.2018.02.064 | |
| dc.relation.projectID | info:eu-repo/grantAgreement/JCyL/BU324U14 | |
| dc.type.hasVersion | info:eu-repo/semantics/acceptedVersion | en |
