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    Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10259/4783

    Título
    Intermolecular forces in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + ethanol mixtures
    Autor
    Alcalde García, Rafael T.UBU authority Orcid
    Atilhan, Mert
    Aparicio Martínez, SantiagoUBU authority Orcid
    Publicado en
    Journal of Molecular Liquids. 2018, V. 258, p. 1-9
    Editorial
    Elsevier
    Fecha de publicación
    2018-05
    ISSN
    0167-7322
    DOI
    10.1016/j.molliq.2018.02.064
    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.
    Palabras clave
    Ionic liquid
    Imidazolium
    Molecular solvent
    Mixtures
    DFT
    Raman
    Hydrogen bonding
    Materia
    Chemistry, Physical and theoretical
    Química física
    URI
    http://hdl.handle.net/10259/4783
    Versión del editor
    https://doi.org/10.1016/j.molliq.2018.02.064
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    Attribution-NonCommercial-NoDerivatives 4.0 International
    Documento(s) sujeto(s) a una licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International
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