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Quantum Dynamics of Rotational Transitions in CN ( X 2 Σ + ) by H + Collisions.

Authors :
Anusuri B
Dhilip Kumar TJ
Kumar S
Source :
Frontiers in chemistry [Front Chem] 2021 Nov 25; Vol. 9, pp. 790416. Date of Electronic Publication: 2021 Nov 25 (Print Publication: 2021).
Publication Year :
2021

Abstract

Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X <superscript>2</superscript> Σ <superscript>+</superscript> ) by H <superscript>+</superscript> scattering are studied by the exact quantum mechanical close-coupling (CC) method at very low collision energies (0-600 cm <superscript>-1</superscript> ) relevant to interstellar atmospheres. Ab initio rigid rotor potential energy surface computed at MRCI/ cc - p VTZ level of accuracy has been employed. Rate coefficients for the rotational excitations have also been calculated. The obtained results are compared with previous theoretical calculations and analyzed whether proton collisions could be significant sources for rotationally excited CN as a possible source for cosmic microwave background of about 3 K from the interstellar media.<br />Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.<br /> (Copyright © 2021 Anusuri, Dhilip Kumar and Kumar.)

Details

Language :
English
ISSN :
2296-2646
Volume :
9
Database :
MEDLINE
Journal :
Frontiers in chemistry
Publication Type :
Academic Journal
Accession number :
34900947
Full Text :
https://doi.org/10.3389/fchem.2021.790416