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    Por favor, use este identificador para citar o enlazar este ítem:https://uvadoc.uva.es/handle/10324/51669

    Título
    Water binding to the atmospheric oxidation product methyl vinyl ketone
    Autor
    Cabezas, Carlos
    Juanes San José, MarcosAutoridad UVA
    Saragi, Rizalina TamaAutoridad UVA
    Lesarri Gómez, Alberto EugenioAutoridad UVA Orcid
    Peña Calvo, María IsabelAutoridad UVA
    Año del Documento
    2022
    Editorial
    Elsevier
    Descripción
    Producción Científica
    Documento Fuente
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2022, vol. 270, 120846
    Résumé
    Methyl vinyl ketone is one of the major oxidation products of isoprene, and therefore, an important precursor of secondary organic aerosol. Understanding its interactions with water is relevant to gain insight into aerosol formation and improve the predictive power of atmospheric chemistry models. The molecular complex formed between methyl vinyl ketone and water has been generated in a supersonic jet and characterized using high-resolution microwave spectroscopy in combination with quantum chemistry calculations. In this study, we show that methyl vinyl ketone interacts with water forming four 1:1 isomers connected by O − H···O and C − H···O hydrogen bond interactions. Water has been found to preferentially bind to the antiperiplanar conformation of methyl vinyl ketone. Evidence of a large amplitude motion arising from the methyl internal rotation has been found in the rotational spectra of the dimer. The threefold methyl internal rotation barrier heights have been further determined and discussed for all the species.
    Palabras Clave
    Methyl vinyl ketone
    Metilvinilcetona
    Atmospheric oxidation
    Oxidación atmosférica
    ISSN
    1386-1425
    Revisión por pares
    SI
    DOI
    10.1016/j.saa.2021.120846
    Patrocinador
    Ministerio de Ciencia, Innovación y Universidades (grants PID2020-117925GA-I00 and PGC2018-098561-B-C22)
    Version del Editor
    https://www.sciencedirect.com/science/article/pii/S1386142521014232?via%3Dihub
    Propietario de los Derechos
    © 2022 The Authors
    Idioma
    eng
    URI
    https://uvadoc.uva.es/handle/10324/51669
    Tipo de versión
    info:eu-repo/semantics/publishedVersion
    Derechos
    openAccess
    Aparece en las colecciones
    • DEP63 - Artículos de revista [324]
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    Water-binding-to-atmospheric-oxidation.pdf
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    Attribution-NonCommercial-NoDerivatives 4.0 InternacionalExcepté là où spécifié autrement, la license de ce document est décrite en tant que Attribution-NonCommercial-NoDerivatives 4.0 Internacional

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