Rotational state-changes in C5N− by collisions with He and H2

Author:

Biswas R1,Giri K2,González-Sánchez L3,Gianturco F A4ORCID,Lourderaj U1,Sathyamurthy N5,Veselinova A3ORCID,Yurtsever E6,Wester R4

Affiliation:

1. School of Chemical Sciences, National Institute of Science Education and Research (NISER) Bhubaneswar , An OCC of Homi Bhabha National Institute, Khurda, Odisha, 752050, India

2. Department of Computational Sciences, Central University of Punjab , Bathinda 151401, India

3. Departamento de Química Física, University of Salamanca , Plaza de los Caídos sn, E-37008 Salamanca, Spain

4. Institut für Ionenphysik und Angewandte Physik, Universität Innsbruck , A-6020 Innsbruck, Austria

5. Indian Institute of Science Education and Research Mohali , SAS Nagar 140306, India

6. Department of Chemistry, Koc University Rumelifeneriyolu , TR 34450 Istanbul, Turkey

Abstract

ABSTRACT The anion C5N− is one of the largest linear (C,N)-bearing chains detected in the interstellar medium. Here we present and discuss the general features of new ab initio potential energy surfaces describing the interaction of this linear anion with He and H2. We employ a Legendre Polynomials expansion representation for the former and an artificial neural network fit for the latter. We then carry out quantum scattering calculations to yield rotationally inelastic cross-sections for collisions with He and H2, using relative translational energy values in the range of 0.1–300 cm−1. We then obtained the corresponding inelastic rate coefficients as a function of temperature covering the range from 1 to 100 K. The results for these two systems are compared with each other, as well as with the earlier results on the C3N− colliding with the same partners. We found that the final inelastic rate coefficients for this anion are all fairly large, those from collisions with H2 being the largest. The consequences of such findings on their non-equilibrium rotational populations in interstellar environments are discussed in our conclusions.

Funder

Ministerio de Ciencia, Innovación y Universidades

Publisher

Oxford University Press (OUP)

Subject

Space and Planetary Science,Astronomy and Astrophysics

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