TY - JOUR
T1 - Rotational State-to-State Rate Coefficients of HeHNe+by Collision with He at Low Temperatures
AU - Denis-Alpizar, Otoniel
AU - Cabrera-González, Lisan David
AU - Orellana-González, Gustavo
AU - Páez-Hernández, Dayan
N1 - Publisher Copyright:
© 2023 American Chemical Society.
PY - 2022
Y1 - 2022
N2 - The HeHNe+ molecule is expected to have, after NeH+, the strongest neon bond found so far. Furthermore, formation mechanisms in the interstellar medium (ISM) have been proposed for this molecule. If HeHNe+ is detected, the collisional rate coefficients of this species with the most abundant constituents of the ISM will be critical for employing nonlocal thermodynamic equilibrium (non-LTE) models. Therefore, the main goals of this work are to study the interaction of HeHNe+ with He and to report a set of rotational rate coefficients for this collision at low temperatures. For this purpose, the first potential energy surface for the HeHNe+ + He complex is developed from ab initio calculations. The close-coupling method is employed for studying the dynamics of the system. A |Δj| = 2 propensity rule is found for transitions starting from the rotational state j = 5. Finally, the rate coefficients for the lower 20 rotational states of HeHNe+ are reported.
AB - The HeHNe+ molecule is expected to have, after NeH+, the strongest neon bond found so far. Furthermore, formation mechanisms in the interstellar medium (ISM) have been proposed for this molecule. If HeHNe+ is detected, the collisional rate coefficients of this species with the most abundant constituents of the ISM will be critical for employing nonlocal thermodynamic equilibrium (non-LTE) models. Therefore, the main goals of this work are to study the interaction of HeHNe+ with He and to report a set of rotational rate coefficients for this collision at low temperatures. For this purpose, the first potential energy surface for the HeHNe+ + He complex is developed from ab initio calculations. The close-coupling method is employed for studying the dynamics of the system. A |Δj| = 2 propensity rule is found for transitions starting from the rotational state j = 5. Finally, the rate coefficients for the lower 20 rotational states of HeHNe+ are reported.
KW - astrochemistry
KW - Molecular data
KW - molecular processes
KW - rate coefficients
KW - scattering
UR - http://www.scopus.com/inward/record.url?scp=85146177224&partnerID=8YFLogxK
U2 - 10.1021/acsearthspacechem.2c00302
DO - 10.1021/acsearthspacechem.2c00302
M3 - Article
AN - SCOPUS:85146177224
SN - 2472-3452
JO - ACS Earth and Space Chemistry
JF - ACS Earth and Space Chemistry
ER -