Context. Small imines containing up to three carbon atoms are present in the interstellar medium (ISM). As alkynyl compounds are abundant in this medium, propargylimine (2-propyn-1-imine, HC C-CH =NH) thus represents a promising candidate for a new interstellar detection. Aims. The goal of the present work is to perform a comprehensive laboratory investigation of the rotational spectrum of propargylimine in its ground vibrational state in order to obtain a highly precise set of rest frequencies and to search for it in space. Methods. The rotational spectra of E and Z geometrical isomers of propargylimine have been recorded in the laboratory in the 83-500 GHz frequency interval. The measurements have been performed using a source-modulation millimetre-wave spectrometer equipped with a pyrolysis system for the production of unstable species. High-level ab initio calculations were performed to assist the analysis and to obtain reliable estimates for an extended set of spectroscopic quantities. We searched for propargylimine at 3 mm and 2 mm in the spectral survey of the quiescent giant molecular cloud G+0.693-0.027 located in the central molecular zone, close to the Galactic centre. Results. About 1000 rotational transitions have been recorded for the E-and Z-propargylimine, in the laboratory. These new data have enabled the determination of a very accurate set of spectroscopic parameters including rotational, quartic, and sextic centrifugal distortion constants. The improved spectral data allowed us to perform a successful search for this new imine in the G+0.693-0.027 molecular cloud. Eighteen lines of Z-propargylimine were detected at level >2.5σ, resulting in a column-density estimate of N = (0.24 ± 0.02) × 1014 cm-2. An upper limit was retrieved for the higher energy E isomer, which was not detected in the data. The fractional abundance (with respect to H2) derived for Z-propargylimine is 1.8 × 10-10. We discuss the possible formation routes by comparing the derived abundance with those measured in the source for possible chemical precursors.

Propargylimine in the laboratory and in space: Millimetre-wave spectroscopy and its first detection in the ISM

Bizzocchi L.
;
Giuliano B. M.;Martin S.;
2020

Abstract

Context. Small imines containing up to three carbon atoms are present in the interstellar medium (ISM). As alkynyl compounds are abundant in this medium, propargylimine (2-propyn-1-imine, HC C-CH =NH) thus represents a promising candidate for a new interstellar detection. Aims. The goal of the present work is to perform a comprehensive laboratory investigation of the rotational spectrum of propargylimine in its ground vibrational state in order to obtain a highly precise set of rest frequencies and to search for it in space. Methods. The rotational spectra of E and Z geometrical isomers of propargylimine have been recorded in the laboratory in the 83-500 GHz frequency interval. The measurements have been performed using a source-modulation millimetre-wave spectrometer equipped with a pyrolysis system for the production of unstable species. High-level ab initio calculations were performed to assist the analysis and to obtain reliable estimates for an extended set of spectroscopic quantities. We searched for propargylimine at 3 mm and 2 mm in the spectral survey of the quiescent giant molecular cloud G+0.693-0.027 located in the central molecular zone, close to the Galactic centre. Results. About 1000 rotational transitions have been recorded for the E-and Z-propargylimine, in the laboratory. These new data have enabled the determination of a very accurate set of spectroscopic parameters including rotational, quartic, and sextic centrifugal distortion constants. The improved spectral data allowed us to perform a successful search for this new imine in the G+0.693-0.027 molecular cloud. Eighteen lines of Z-propargylimine were detected at level >2.5σ, resulting in a column-density estimate of N = (0.24 ± 0.02) × 1014 cm-2. An upper limit was retrieved for the higher energy E isomer, which was not detected in the data. The fractional abundance (with respect to H2) derived for Z-propargylimine is 1.8 × 10-10. We discuss the possible formation routes by comparing the derived abundance with those measured in the source for possible chemical precursors.
Bizzocchi L.; Prudenzano D.; Rivilla V.M.; Pietropolli-Charmet A.; Giuliano B.M.; Caselli P.; Martin-Pintado J.; Jimenez-Serra I.; Martin S.; Requena-Torres M.A.; Rico-Villas F.; Zeng S.; Guillemin J.-C.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/872452
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