Evidence map›Paper›PMID 33594291›Full record

ArticleAstronomy and astrophysics2020

Formation of interstellar cyanoacetamide: a rotational and computational study.

M Sanz-Novo, I León, J L Alonso, A Largo, C Barrientos

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Article in Astronomy and astrophysics, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

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2citing papers in PubMed
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3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

5 authors.

M Sanz-NovoGrupo de Espectroscopía Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopía y Bioespectroscopía, Parque Científico UVa, Unidad Asociada CSIC, 47011 Valladolid, Spain.
I LeónGrupo de Espectroscopía Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopía y Bioespectroscopía, Parque Científico UVa, Unidad Asociada CSIC, 47011 Valladolid, Spain.
J L AlonsoGrupo de Espectroscopía Molecular (GEM), Edificio Quifima, Área de Química-Física, Laboratorios de Espectroscopía y Bioespectroscopía, Parque Científico UVa, Unidad Asociada CSIC, 47011 Valladolid, Spain.
A LargoComputational Chemistry Group, Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid, Spain.
C BarrientosComputational Chemistry Group, Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, 47011 Valladolid, Spain.

Funding

European Research Council 610256
6 · The paper itself

Abstract

contextCyanoacetamide is a -CN bearing molecule that is also an amide derivative target molecule in the interstellar medium.

aimsThe 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.

methodsWe 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.

resultsWe 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.

Indexed as

astrochemistryISM: moleculesmolecular datamolecular processes

Identifiers

PMID33594291
PMCPMC7116755

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