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Improved centrifugal and hyperfine analysis of ND2H and NH2D and its application to the spectral line survey of L1544
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2021-03-04 , DOI: 10.1016/j.jms.2021.111431
Mattia Melosso , Luca Bizzocchi , Luca Dore , Zbigniew Kisiel , Ningjing Jiang , Silvia Spezzano , Paola Caselli , Jürgen Gauss , Cristina Puzzarini

Quantifying molecular abundances of astrochemical species is a key step towards the understanding of the chemistry occurring in the interstellar medium. This process requires a profound knowledge of the molecular energy levels, including their structure resulting from weak interactions between nuclear spins and the molecular rotation. With the aim of increasing the quality of spectral line catalogs for the singly- and doubly-deuterated ammonia (NH2D and ND2H), we have revised their rotational spectra by observing many hyperfine-resolved lines and more accurate high-frequency transitions. The measurements have been performed in the submillimeter-wave region (265–1565 GHz) using a frequency modulation submillimeter spectrometer and in the far-infrared domain (45–220 cm−1) with a synchrotron-based Fourier-transform interferometer. The analysis of the new data, with the interpretation of the hyperfine structure supported by state-of-the-art quantum-chemical calculations, led to an overall improvement of all spectroscopic parameters. Moreover, the effect of the inclusion of deuterium splittings in the analysis of astrophysical NH2D emissions at millimeter wavelengths has been tested using recent observations of the starless core L1544, an ideal astrophysical laboratory for the study of deuterated species. Our results show that accounting for hyperfine interactions leads to a small but significant change in the physical parameters used to model NH2D line emissions.



中文翻译:

ND 2 H和NH 2 D的离心和超细分析的改进及其在L1544光谱线测量中的应用。

量化天化学物种的分子丰度是理解星际介质中发生的化学过程的关键一步。这个过程需要对分子能级有深刻的了解,包括由于核自旋和分子自旋之间的弱相互作用而导致的分子能级结构。为了提高单氘和双氘氨(NH 2 D和ND 2 H)的谱线目录的质量,我们通过观察许多超精细分辨的谱线和更准确的高频跃迁来修改了它们的旋转谱。 。使用频率调制亚毫米波谱仪在亚毫米波区域(265–1565 GHz)和远红外域(45–220 cm -1)中进行了测量)和基于同步加速器的傅立叶变换干涉仪。对新数据的分析以及对超细结构的解释得到了最新的量子化学计算的支持,从而全面改善了所有光谱参数。此外,使用最近观测到的无星核L1544的理想状态,测试了在毫米波长的天体NH 2 D排放分析中包含氘分裂的影响,这是研究氘代物种的理想天体物理实验室。我们的结果表明,考虑到超精细相互作用会导致用于模拟NH 2 D线排放的物理参数发生微小但显着的变化。

更新日期:2021-03-15
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