Relaxation of NO+ by collision with para-H2 (j = 0)

Cabrera-González L.D.; Páez-Hernández D.; Denis-Alpizar O.

dc.contributor.author	Cabrera-González L.D.
dc.contributor.author	Páez-Hernández D.
dc.contributor.author	Denis-Alpizar O.
dc.date.accessioned	2020-09-02T22:13:45Z
dc.date.available	2020-09-02T22:13:45Z
dc.date.issued	2020
dc.identifier	10.1093/mnras/staa722
dc.identifier.citation	494, 1, 129-134
dc.identifier.issn	00358711
dc.identifier.uri	https://hdl.handle.net/20.500.12728/3860
dc.description	The first tentative detection of the nitrosylium ion (NO+) in the interstellar medium (ISM) was reported just a few years ago. The application of non-local thermal equilibrium models requires the knowledge of the collisional rate coefficients with the most common colliders in the ISM (e.g. He, H, H2, and e). The main goals of this paper are to study the collision of the NO+ molecule with para-H2 (j = 0) and report the rate coefficients for the lower rotational states of NO+. A large set of ab initio energies was computed at the CCSD(T)/aug-cc-pV5Z level of theory. A new potential energy surface averaged over the H2 orientations was then fitted using a reproducing kernel Hilbert space procedure. The state-to-state cross-sections of NO++para-H2 (j = 0) for the first 18 rotational levels were computed using the close-coupling method. The rotational rate coefficients of this system were compared with those for NO++He, and a different propensity rule was found. Furthermore, the hyperfine rate coefficients were also calculated using the infinite-order-sudden scaling procedure. © 2020 The Author(s) Published by Oxford University Press on behalf of the Royal Astronomical Society
dc.language.iso	en
dc.publisher	Oxford University Press
dc.subject	Astrochemistry
dc.subject	ISM: molecules
dc.subject	Molecular data
dc.subject	Molecular processes
dc.subject	Scattering
dc.title	Relaxation of NO+ by collision with para-H2 (j = 0)
dc.type	Article