Mono-substituted isotopologues of HC₃N: characterization of the resonance systems for the ¹³C-and ¹⁵N-species
Abstract
The widespread distribution of cyanoacetylene (HC₃N) in the interstellar medium and its role in a wide range of processes give relevance to this molecule in Space. On the other hand, due to its large dipole moment, the corresponding molecular emissions are often optically thick. One customary way to overcome this problem is to resort to the observations of rarer isotopologues. The ¹³C-and ¹⁵N-variants of HC₃N -even in the vibrationally excited states -are thus important astrophysical tracers. Here we report on a comprehensive study of the pure rotational spectra of H¹³CCCN, HC¹³CCN, HCC¹³CN, and HCCC¹⁵N in the 75-530 GHz frequency range. Using a frequency-modulated millimeter-wave spectrometer, rotational transitions spanning J values in the 9-58 interval have been recorded for the ground and all the vibrationally excited states up to 1000 cm-1 . A global least-squares-fit of more than 4800 newly observed transitions, together with those available in the literature, has been carried out, yielding state-effective rotational constants, centrifugal distortion coefficients, anharmonic xL(tt) and xL(tt') constants, and ro-vibrational l-type parameters. The interaction among the v5 = 1, and v7 = 3 states, and the resonant system involving v4 = 1, v5 = v7 = 1, v6 = 2, and v7 = 4 have been analyzed for all the species, determining the main interaction coefficients. Together with the extensive line catalog for each species, the global-fit gave a reliable set of spectroscopic parameters to support astronomical searches for rare HC₃N isotopologues in highly excited vibrational states.
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BibTeX
@article{panizzi2026monosubstituted,
title = {{Mono-substituted isotopologues of HC₃N: characterization of the resonance systems for the ¹³C-and ¹⁵N-species}},
author = {Gabriele Panizzi and Michela Nonne and Luca Bizzocchi and Mattia Melosso and Francesco Roelens and Luca Dore and Marie-Aline Martin-Drumel and Olivier Pirali and Silvia Alessandrini and Cristina Puzzarini},
journal = {Journal of Quantitative Spectroscopy and Radiative Transfer},
year = {2026},
month = sep,
doi = {10.1016/j.jqsrt.2026.110014},
url = {https://hal.science/hal-05746658v1},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - Mono-substituted isotopologues of HC₃N: characterization of the resonance systems for the ¹³C-and ¹⁵N-species
AU - Gabriele Panizzi
AU - Michela Nonne
AU - Luca Bizzocchi
AU - Mattia Melosso
AU - Francesco Roelens
AU - Luca Dore
AU - Marie-Aline Martin-Drumel
AU - Olivier Pirali
AU - Silvia Alessandrini
AU - Cristina Puzzarini
PY - 2026
DA - 2026/09/11
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
DO - 10.1016/j.jqsrt.2026.110014
UR - https://hal.science/hal-05746658v1
AB - The widespread distribution of cyanoacetylene (HC₃N) in the interstellar medium and its role in a wide range of processes give relevance to this molecule in Space. On the other hand, due to its large dipole moment, the corresponding molecular emissions are often optically thick. One customary way to overcome this problem is to resort to the observations of rarer isotopologues. The ¹³C-and ¹⁵N-variants of HC₃N -even in the vibrationally excited states -are thus important astrophysical tracers. Here we report on a comprehensive study of the pure rotational spectra of H¹³CCCN, HC¹³CCN, HCC¹³CN, and HCCC¹⁵N in the 75-530 GHz frequency range. Using a frequency-modulated millimeter-wave spectrometer, rotational transitions spanning J values in the 9-58 interval have been recorded for the ground and all the vibrationally excited states up to 1000 cm-1 . A global least-squares-fit of more than 4800 newly observed transitions, together with those available in the literature, has been carried out, yielding state-effective rotational constants, centrifugal distortion coefficients, anharmonic x_L(tt) and x_L(tt') constants, and ro-vibrational l-type parameters. The interaction among the v5 = 1, and v7 = 3 states, and the resonant system involving v4 = 1, v5 = v7 = 1, v6 = 2, and v7 = 4 have been analyzed for all the species, determining the main interaction coefficients. Together with the extensive line catalog for each species, the global-fit gave a reliable set of spectroscopic parameters to support astronomical searches for rare HC₃N isotopologues in highly excited vibrational states.
SN - 0022-4073
SN - 1879-1352
ER -