Relaxation of NO+ by collision with para-H-2 (j=0)

Cabrera-Gonzalez, L. D.; Paez-Hernandez, D.; Denis-Alpizar, O.

Abstract

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, H-2, and e). The main goals of this paper are to study the collision of the NO+ molecule with para-H-2 (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 II/ orientations was then fitted using a reproducing kernel Hilbert space procedure. The state-to-state cross-sections of NO++para-H-2 (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.

Más información

Título según WOS: Relaxation of NO+ by collision with para-H-2 (j=0)
Título de la Revista: MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
Volumen: 494
Número: 1
Editorial: OXFORD UNIV PRESS
Fecha de publicación: 2020
Página de inicio: 129
Página final: 134
DOI:

10.1093/MNRAS/STAA722

Notas: ISI