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标题：Propargylimine in the laboratory and in space: millimetre-wave spectroscopy and its first detection in the ISM ★
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作者：L. Bizzocchi ; D. Prudenzano ; V. M. Rivilla 等
期刊名称：Astronomy & Astrophysics
印刷版ISSN：0004-6361
电子版ISSN：1432-0746
出版年度：2020
卷号：640
页码：1-14
DOI：10.1051/0004-6361/202038083
语种：English
出版社：EDP Sciences
摘要：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 ofEandZgeometrical 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 theE- andZ-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 ofZ-propargylimine were detected at level >2.5σ, resulting in a column-density estimate ofN= (0.24 ± 0.02) × 1014cm−2. An upper limit was retrieved for the higher energyEisomer, which was not detected in the data. The fractional abundance (with respect to H2) derived forZ-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.
关键词：Key wordsenmolecular datamethods: laboratory: molecularmethods: observationaltechniques: spectroscopicISM: cloudsISM: molecules