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    • SCIENTIFIC PRODUCTION
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    • Dpto. Química Física y Química Inorgánica
    • DEP63 - Artículos de revista
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    • DEP63 - Artículos de revista
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    Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/73176

    Título
    Microsolvation of ethyl carbamate conformers: effect of carrier gas on the formation of complexes
    Autor
    Pinacho Morante, PabloAutoridad UVA
    López Alonso, Juan CarlosAutoridad UVA Orcid
    Kisiel, Zbigniew
    Blanco Rodríguez, SusanaAutoridad UVA Orcid
    Año del Documento
    2020
    Documento Fuente
    Physical Chemistry Chemical Physics, Agosto 2020, 22, 18351-18360
    Abstract
    Microsolvated complexes of ethyl carbamate (urethane) with up to three water molecules formed in a supersonic expansion have been characterized by high-resolution microwave spectroscopy. Both chirped-pulse and cavity Fourier transform microwave spectrometers covering the 2–13 GHz frequency range have been used. The structures of the complexes have been characterized and show water molecules closing sequential cycles through hydrogen bonding with the amide group. As is the case in the monomer, the ethyl carbamate–water complexes exhibit a conformational equilibrium between two conformers close in energy. The interconversion barrier between both forms has been studied by analyzing the spectra obtained using different carrier gas in the expansion. Complexation of ethyl carbamate with water molecules does not appear to significantly alter the potential energy function for the interconversion between the two conformations of ethyl carbamate.
    ISSN
    1463-9076
    Revisión por pares
    SI
    DOI
    10.1039/D0CP03093G
    Patrocinador
    Ministerio de Economía y Competitividad (Grant CTQ2016-75253-P) Junta de Castilla y León (Grant VA334U14)
    Version del Editor
    https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp03093g
    Idioma
    eng
    URI
    https://uvadoc.uva.es/handle/10324/73176
    Tipo de versión
    info:eu-repo/semantics/submittedVersion
    Derechos
    openAccess
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    • DEP63 - Artículos de revista [322]
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    Universidad de Valladolid

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