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Título
Formation of interstellar cyanoacetamide: a rotational and computational study
Autor
Año del Documento
2020
Editorial
EDP Sciences
Descripción
Producción Científica
Documento Fuente
Astronomy & Astrophysics, Volume 644, 2020, A3
Zusammenfassung
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
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
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
Propietario de los Derechos
© ESO 2020
Idioma
eng
Tipo de versión
info:eu-repo/semantics/publishedVersion
Derechos
openAccess
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