TY - JOUR
T1 - Rotational excitation of H3O+cations by para-H2
T2 - Improved collisional data at low temperatures
AU - Demes, Sándor
AU - Lique, François
AU - Faure, Alexandre
AU - Van Der Tak, Floris F. S.
AU - Rist, Claire
AU - Hily-Blant, Pierre
N1 - Publisher Copyright:
© 2021 The Author(s) Published by Oxford University Press on behalf of Royal Astronomical Society.
PY - 2022/1/1
Y1 - 2022/1/1
N2 - The hydronium cation plays a crucial role in interstellar oxygen and water chemistry. While its spectroscopy was extensively investigated earlier, the collisional excitation of H3O+ is not well studied yet. In this work, we present state-to-state collisional data for the rotational de-excitation of both ortho- and para-H3O+ due to para-H2 impact. The cross sections are calculated within the close-coupling foalism using our recent, highly accurate, rigid-rotor potential energy surface for this collision system. The corresponding theal rate coefficients are computed up to 100 K. For para-H3O+, the lowest 20 rotation-inversion states were considered in the calculations, while for ortho-H3O+, the lowest 11 states are involved (up to j ≤ 5), so all levels with rotational energy below 420 K (292 cm-1) are studied. In order to analyse the impact of the new collisional rate coefficients on the excitation of H3O+ in astrophysical environments, radiative transfer calculations are also provided. The most relevant emission lines from an astrophysical point of view are studied, taking into account the transitions at 307, 365, 389, and 396 GHz. We show that our new collisional data have a non-negligible impact (from a few per cents up to about a factor of 3) on the brightness and excitation temperatures of H3O+, justifying the revision of the physical conditions in the appropriate astrophysical observations. The calculated rate coefficients allow one to recalculate the column density of hydronium in interstellar clouds, which can lead to a better understanding of interstellar water and oxygen chemistry.
AB - The hydronium cation plays a crucial role in interstellar oxygen and water chemistry. While its spectroscopy was extensively investigated earlier, the collisional excitation of H3O+ is not well studied yet. In this work, we present state-to-state collisional data for the rotational de-excitation of both ortho- and para-H3O+ due to para-H2 impact. The cross sections are calculated within the close-coupling foalism using our recent, highly accurate, rigid-rotor potential energy surface for this collision system. The corresponding theal rate coefficients are computed up to 100 K. For para-H3O+, the lowest 20 rotation-inversion states were considered in the calculations, while for ortho-H3O+, the lowest 11 states are involved (up to j ≤ 5), so all levels with rotational energy below 420 K (292 cm-1) are studied. In order to analyse the impact of the new collisional rate coefficients on the excitation of H3O+ in astrophysical environments, radiative transfer calculations are also provided. The most relevant emission lines from an astrophysical point of view are studied, taking into account the transitions at 307, 365, 389, and 396 GHz. We show that our new collisional data have a non-negligible impact (from a few per cents up to about a factor of 3) on the brightness and excitation temperatures of H3O+, justifying the revision of the physical conditions in the appropriate astrophysical observations. The calculated rate coefficients allow one to recalculate the column density of hydronium in interstellar clouds, which can lead to a better understanding of interstellar water and oxygen chemistry.
KW - astrochemistry
KW - ISM
KW - laboratory
KW - methods
KW - molecular
KW - molecular processes
KW - molecules
KW - radiative transfer
KW - scattering
UR - http://www.scopus.com/inward/record.url?scp=85121220617&partnerID=8YFLogxK
U2 - 10.1093/mnras/stab3015
DO - 10.1093/mnras/stab3015
M3 - Article
AN - SCOPUS:85121220617
SN - 0035-8711
VL - 509
SP - 1252
EP - 1261
JO - Monthly Notices of the Royal Astronomical Society
JF - Monthly Notices of the Royal Astronomical Society
IS - 1
ER -