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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/10324/43724

    Título
    Formation of interstellar cyanoacetamide: a rotational and computational study
    Autor
    Sanz Novo, MiguelAutoridad UVA
    León Ona, IkerAutoridad UVA
    Alonso Hernández, José LuisAutoridad UVA Orcid
    Largo Cabrerizo, AntonioAutoridad UVA Orcid
    Barrientos Benito, María CarmenAutoridad UVA Orcid
    Año del Documento
    2020
    Editorial
    EDP Sciences
    Descripción
    Producción Científica
    Documento Fuente
    Astronomy & Astrophysics, Volume 644, 2020, A3
    Abstract
    Context. Cyanoacetamide is a –CN bearing molecule that is also an amide derivative target molecule in the interstellar medium. Aims. The aim of our investigation is to analyze the feasibility of a plausible formation process of protonated cyanoacetamide under interstellar conditions and to provide direct experimental frequencies of the ground vibrational state of the neutral form in the microwave region in order to enable its eventual identification in the interstellar medium. Methods. We used high-level theoretical computations to study the formation process of protonated cyanoacetamide. Furthermore, we employed a high-resolution laser-ablation molecular beam Fourier transform spectroscopic technique to measure the frequencies of the neutral form. Results. We report the first rotational characterization of cyanoacetamide, and a precise set of the relevant rotational spectroscopic constants have been determined as a first step to identifying the molecule in the interstellar medium. We fully explored the potential energy surface to study a gas-phase reaction on the formation process of protonated cyanoacetamide. We found that an exothermic process with no net activation barrier is initiated by the high-energy isomer of protonated hydroxylamine, which leads to protonated cyanoacetamide.
    Palabras Clave
    Molecular data
    ISSN
    0004-6361
    Revisión por pares
    SI
    DOI
    10.1051/0004-6361/202038766
    Patrocinador
    Ministerio de Ciencia, Innovación y Universidades (Project CTQ2016-76393-P)
    Ministerio de Economía, Industria y Competitividad (Grant AYA2017-87515-P)
    Junta de Castilla y León (Grants VA077U16 and Grant VA010G18)
    European Research Council under the European Union’s Seventh Framework Programme (FP/2007-2013)/ERC-2013- SyG, Grant Agreement no. 610 256 NANOCOSMOS
    Patrocinador
    info:eu-repo/grantAgreement/EC/FP7/610256
    Version del Editor
    https://www.aanda.org/articles/aa/abs/2020/12/aa38766-20/aa38766-20.html
    Propietario de los Derechos
    © ESO 2020
    Idioma
    eng
    URI
    http://uvadoc.uva.es/handle/10324/43724
    Tipo de versión
    info:eu-repo/semantics/publishedVersion
    Derechos
    openAccess
    Collections
    • DEP63 - Artículos de revista [322]
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    Attribution-NonCommercial-NoDerivatives 4.0 InternacionalExcept where otherwise noted, this item's license is described as Attribution-NonCommercial-NoDerivatives 4.0 Internacional

    Universidad de Valladolid

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