Quantum dynamics of C7N− and C10H− anions in collision with H2 at interstellar medium conditions
Abstract
We present quantum calculations for two of the longest linear anions, recently detected in the interstellar environments: C7N− and C10H−, in collision with the most abundant neutral partner in the same environment: the H2 molecule. The interaction forces are obtained from accurate ab initio calculations for the two partners as rigid rotors, generating a dense grid of potential energy values in four dimensions. The potential energy surface is, in turn, fitted by using high-level neural network procedures, and multipolar expansion coefficients are obtained to provide input for calculations of the collision-induced rotational energy transfer processes at the temperatures of interstellar environments. Cross sections are used to generate state-to-state inelastic rate coefficients up to 50 K. The results for the cases of ortho- and para-H2 as collision partners are discussed and analyzed.
Article Details
Journal Info
The Journal of Chemical Physics
American Institute of Physics
Authors (9)
K. Giri
Department of Computational Sciences, Central University of Punjab 1 , Bathinda, Punjab 151401,
U. Lourderaj
School of Chemical Sciences, National Institute of Science Education and Research (NISER) Bhubaneswar, An OCC of Homi Bhabha National Institute 2 , Khurda, Odisha 752050,
S. Rana
School of Chemical Sciences, National Institute of Science Education and Research (NISER) Bhubaneswar, An OCC of Homi Bhabha National Institute 2 , Khurda, Odisha 752050,
L. González-Sánchez
Departamento de Química Física, University of Salamanca 3 , Plaza de los Caídos sn, 37008 Salamanca,
A. M. Santa Daría
Departamento de Química Física, University of Salamanca 3 , Plaza de los Caídos sn, 37008 Salamanca,
E. Yurtsever
Department of Chemistry, Koç University 4 , Rumelifeneriyolu, Sariyer, TR-34450 Istanbul,
N. Sathyamurthy
Indian Institute of Science Education and Research Mohali 5 , SAS Nagar, Punjab 140306,
R. Wester
Institut fuer Ionenphysik und Angewandte Physik, Universitaet Innsbruck 6 , Technikerstr. 25, A-6020 Innsbruck,
F. A. Gianturco
Institut fuer Ionenphysik und Angewandte Physik, Universitaet Innsbruck 6 , Technikerstr. 25, A-6020 Innsbruck,