论文标题

实验室和空间中的propargylimine:毫米波光谱和ISM中的首次检测

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

论文作者

Bizzocchi, Luca, Prudenzano, Domenico, Rivilla, Victor M., Pietropolli-Charmet, Andrea, Giuliano, Barbara M., Caselli, Paola, Martín-Pintado, Jesus, Jiménez-Serra, Izaskun, Martín, Sergio, Requena-Torres, Miguel A., Rico-Villas, Fernando, Zeng, Shaoshan, Guillemin, Jean-Claude

论文摘要

星际培养基中存在最多包含三个碳原子的小生物。由于这种培养基中的藻类化合物很丰富,因此propargylimine代表了新的星际检测的有前途的候选人。本工作的目的是对其地面振动状态的propargylimine旋转光谱进行全面的实验室调查,以便获得一组高度精确的休息频率集合并在太空中进行搜索。在83-500 GHz频率间隔中,已在实验室记录了$ e $和$ z $的几何异构体的旋转光谱。测量已使用配备有热解系统的源调制毫米调节仪进行,用于生产不稳定物种。进行了高级的从头算计算,以协助分析并获得扩展的光谱量的可靠估计。改进的光谱数据使我们能够在静止的G+0.693-0.027分子云中成功搜索这种新亚胺。已在$>2.5σ$上检测到了18条$ z $ - propargylimine,导致列密度估计为$ n =(0.24 \ pm 0.02)\ times 10^{14} $ cm $ $^{ - 2} $。检索了高能量$ e $ isomer的上限,该$ $ $ $ y $ ISOMER在数据中未检测到。以$ z $ -propargylimine得出的分数丰度(W.R.T. H $ _2 $)为$ 1.8 \ times 10^{ - 10} $。我们通过将衍生丰度与可能的化学前体中的衍生丰度进行比较,讨论了可能的形成途径。

Small imines containing up to three carbon atoms are present in the interstellar medium. As alkynyl compounds are abundant in this medium, propargylimine thus represents a promising candidate for a new interstellar detection. 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 it in space. The rotational spectra of $E$ and $Z$ geometrical isomers of propargylimine have been recorded in 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. The improved spectral data allow us to perform a successful search for this new imine in the quiescent G+0.693-0.027 molecular cloud. Eighteen lines of $Z$-propargylimine have been detected at level $>2.5 σ$, resulting in a column density estimate of $N = (0.24\pm 0.02)\times 10^{14}$ cm$^{-2}$. An upper limit was retrieved for the higher-energy $E$ isomer, which was not detected in the data. The fractional abundance (w.r.t. H$_2$) derived for $Z$-propargylimine is $1.8\times 10^{-10}$. We discuss the possible formation routes by comparing the derived abundance with those measured in the source for possible chemical precursors.

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