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    • SCIENTIFIC PRODUCTION
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    • Dpto. Química Física y Química Inorgánica
    • DEP63 - Artículos de revista
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    Por favor, use este identificador para citar o enlazar este ítem:http://uvadoc.uva.es/handle/10324/46375

    Título
    Competition Between Intra‐ and Intermolecular Hydrogen Bonding: o ‐Anisic Acid⋅⋅⋅Formic Acid Heterodimer
    Autor
    Macario Farto, AlbertoAutoridad UVA Orcid
    Blanco Rodríguez, SusanaAutoridad UVA Orcid
    Thomas, Javix
    Xu, Yunjie
    López Alonso, Juan CarlosAutoridad UVA Orcid
    Año del Documento
    2019
    Editorial
    Wiley-V C H Verlag Gmb
    Descripción
    Producción Científica
    Documento Fuente
    Chemistry: A European Journal, 2019, 25, 12325-12331
    Abstract
    Four conformers of the heterodimer o-anisic acid – formic acid, formed in a supersonic expansion, have been probed by Fourier transform microwave spectroscopy. Two of these forms have the typical double intermolecular hydrogen bond cyclic structure. The other two show the o-anisic acid moiety bearing a trans-COOH arrangement supported by an intramolecular O-H··O bond to the neighbour methoxy group. In these conformers, formic acid interacts with o-anisic acid mainly through an intermolecular O-H···O hydrogen bond either to the O-H or to the C=O moieties, reinforced by other weak interactions. Surprisingly, the most abundant conformer in the supersonic expansion is the complex in which the o-anisic acid is in trans arrangement with the formic acid interacting with the O-H group. Such a trans-COOH arrangement in which the intramolecular hydrogen bond dominates over the usually observed double intermolecular hydrogen bond interaction has never been observed previously in an acid-acid dimer.
    Materias (normalizadas)
    Espectroscopía de rotación
    Quimica
    Quimica Fisica
    Materias Unesco
    23 Química
    2301.13 Espectroscopia de Microondas
    2307 Química Física
    Palabras Clave
    o-anisic acid - formic acid
    rotational spectroscopy
    structure
    hydrogen bond
    conformational equilibria
    ISSN
    0947-6539
    Revisión por pares
    SI
    DOI
    10.1002/chem.201902086
    Patrocinador
    Ministerio de economia, industria y competitividad CTQ2016-75253-P
    Version del Editor
    https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.201902086
    Propietario de los Derechos
    Wiley-V C H Verlag Gmb
    Idioma
    spa
    URI
    http://uvadoc.uva.es/handle/10324/46375
    Tipo de versión
    info:eu-repo/semantics/draft
    Derechos
    openAccess
    Collections
    • DEP63 - Artículos de revista [324]
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    oAA-FA_CEJ_2019.pdf
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    Universidad de Valladolid

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