RT info:eu-repo/semantics/article
T1 Formation of interstellar cyanoacetamide: a rotational and computational study
A1 Sanz Novo, Miguel
A1 León Ona, Iker
A1 Alonso Hernández, José Luis
A1 Largo Cabrerizo, Antonio
A1 Barrientos Benito, María Carmen
K1 Molecular data
AB 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.
PB EDP Sciences
SN 0004-6361
YR 2020
FD 2020
LK http://uvadoc.uva.es/handle/10324/43724
UL http://uvadoc.uva.es/handle/10324/43724
LA eng
NO Astronomy & Astrophysics, Volume 644, 2020, A3
NO Producción Científica
DS UVaDOC
RD 22-dic-2024