Rotational and High-resolution Infrared Spectrum of HC ₃ N: Global Ro-vibrational Analysis and Improved Line Catalog for Astrophysical Observations

Abstract

HC 3 N is an ubiquitous molecule in interstellar environments, from external galaxies, to Galactic interstellar clouds, star forming regions, and planetary atmospheres. Observations of its rotational and vibrational transitions provide important information on the physical and chemical structure of the above environments. We present the most complete global analysis of the spectroscopic data of HC 3 N. We have recorded the high-resolution infrared spectrum from 450 to 1350 cm −1 , a region dominated by the intense ν 5 and ν 6 fundamental bands, located at 660 and 500 cm −1 , respectively, and their associated hot bands. Pure

Extensive ro-vibrational analysis of deuterated-cyanoacetylene (DC3N) from millimeter-wavelengths to the infrared domain

“…Here, the omission of the e/f label indicates unsymmetrised wave-functions. The Hamiltonian used to reproduce the ro-vibrational energy levels is equivalent to the one used for HC 3 N [38]:…”

“…In other cases, they were simply fixed to zero. The spectroscopic parameters obtained from the combined fit procedure are collected in Tables 4-7. As anticipated, the analysis of DC 3 N follows the approach successfully adopted for HC 3 N [38]. The main difference is the set-up of the anharmonic resonances network, which arises from the different energy of some vibrational levels due to the isotopic substitution.…”

Rotational spectroscopy of singly 13C substituted isotopomers of propyne and determination of a semi-empirical equilibrium structure

“…Additional recordings near 100 GHz were performed with a BWO based 3 mm synthesizer AM-MSP 2 (Analytik & Meßtechnik GmbH, Chemnitz, Germany) as source and a Schottky-diode as detector. Uncertainties as low as 1 kHz can be reached with this setup under favorable conditions [59]. Only indivial lines were recorded in most instances.…”

Accurate rest frequencies for propargylamine in the ground and low-lying vibrational states

“…Surface hydrogenation of iced CO is postulated to be the formation route of CH 3 OH and other O-bearing COMs (e.g., Watanabe & Kouchi 2002;Bisschop et al 2007;Garrod et al 2007;. Similarly, a related series of H-addition reactions could take place on grain surfaces to generate the simplest member of the amine family, CH 3 NH 2 , starting from the very abundant HCN species (e.g., Theulé et al 2011), and a natural extension of this reasoning lead to infer that propargyl-imine and propargylamine could be obtained through 2H-and 4H-partial saturation of HC 3 N, a carbon chain which proved to be ubiquitous in the ISM (Bizzocchi et al 2017).…”

“…Propargylamine (HC≡C-CH 2 -NH 2 ) is a N-containing derivative of acetylene, which is structurally related to other astrophysically relevant species such as aminoacetonitrile (N≡C-CH 2 -NH 2 ; Belloche et al 2008) and methylacetylene (CH 3 C≡CH; Snyder & Bull 1973) which have been detected in A&A 615, A176 (2018) of HC 3 N, a carbon chain which proved to be ubiquitous in the ISM (Bizzocchi et al 2017).…”