AUTHOR=Jiang Ningjing , Melosso Mattia , Tamassia Filippo , Bizzocchi Luca , Dore Luca , Canè Elisabetta , Fedele Davide , Guillemin Jean-Claude , Puzzarini Cristina 

TITLE=High-Resolution Infrared Spectroscopy of DC3N in the Stretching Region

JOURNAL=Frontiers in Astronomy and Space Sciences

VOLUME=8

YEAR=2021

URL=https://www.frontiersin.org/journals/astronomy-and-space-sciences/articles/10.3389/fspas.2021.656295

DOI=10.3389/fspas.2021.656295

ISSN=2296-987X

ABSTRACT=<p>The perspectives opened by modern ground-based infrared facilities and the forthcoming James Webb Telescope mission have brought a great attention to the ro-vibrational spectra of simple interstellar molecules. In this view, and because of the lack of accurate spectroscopic data, we have investigated the infrared spectrum of deuterated cyanoacetylene (DC<sub>3</sub>N), a relevant astrochemical species. The <inline-formula id="inf1"><mml:math id="minf1" xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>ν</mml:mi><mml:mn>1</mml:mn></mml:msub></mml:mrow></mml:math></inline-formula>, <inline-formula id="inf2"><mml:math id="minf2" xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>ν</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math></inline-formula>, and <inline-formula id="inf3"><mml:math id="minf3" xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>ν</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math></inline-formula> fundamentals as well as their hot-bands were observed in the stretching region (1,500–3,500 cm<sup>−1</sup>) by means of a Fourier transform infrared spectrometer. Supplementary measurements were performed at millimeter-wavelengths (243–295 GHz) with a frequency-modulation spectrometer equipped with a furnace, that allowed to probe pure rotational transitions in the investigated stretching states. Furthermore, since HC<sub>3</sub>N is observed as by-product in our spectra and suffers from the same deficiency of accurate infrared data, its ro-vibrational features have been analyzed as well. The combined analysis of both rotational and ro-vibrational data allowed us to determine precise spectroscopic constants that can be used to model the infrared spectra of DC<sub>3</sub>N and HC<sub>3</sub>N. The importance of accurate molecular data for the correct modeling of proto-planetary disks and exoplanetary atmospheres is then discussed.</p>