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

Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X(2)Σ(+)) by H(+) scattering are studied by the exact quantum mechanical close-coupling (CC) method at very low collision energies (0–600 cm(−1)) relevant to interstellar atmospheres. Ab initio rigid...

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Detalles Bibliográficos
Autores principales: Anusuri, Bhargava, Dhilip Kumar, T. J., Kumar, Sanjay
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8657410/
https://www.ncbi.nlm.nih.gov/pubmed/34900947
http://dx.doi.org/10.3389/fchem.2021.790416
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author Anusuri, Bhargava
Dhilip Kumar, T. J.
Kumar, Sanjay
author_facet Anusuri, Bhargava
Dhilip Kumar, T. J.
Kumar, Sanjay
author_sort Anusuri, Bhargava
collection PubMed
description Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X(2)Σ(+)) by H(+) scattering are studied by the exact quantum mechanical close-coupling (CC) method at very low collision energies (0–600 cm(−1)) relevant to interstellar atmospheres. Ab initio rigid rotor potential energy surface computed at MRCI/cc-pVTZ 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.
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spelling pubmed-86574102021-12-10 Quantum Dynamics of Rotational Transitions in CN (X (2)Σ(+)) by H(+) Collisions Anusuri, Bhargava Dhilip Kumar, T. J. Kumar, Sanjay Front Chem Chemistry Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X(2)Σ(+)) by H(+) scattering are studied by the exact quantum mechanical close-coupling (CC) method at very low collision energies (0–600 cm(−1)) relevant to interstellar atmospheres. Ab initio rigid rotor potential energy surface computed at MRCI/cc-pVTZ 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. Frontiers Media S.A. 2021-11-25 /pmc/articles/PMC8657410/ /pubmed/34900947 http://dx.doi.org/10.3389/fchem.2021.790416 Text en Copyright © 2021 Anusuri, Dhilip Kumar and Kumar. https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
spellingShingle Chemistry
Anusuri, Bhargava
Dhilip Kumar, T. J.
Kumar, Sanjay
Quantum Dynamics of Rotational Transitions in CN (X (2)Σ(+)) by H(+) Collisions
title Quantum Dynamics of Rotational Transitions in CN (X (2)Σ(+)) by H(+) Collisions
title_full Quantum Dynamics of Rotational Transitions in CN (X (2)Σ(+)) by H(+) Collisions
title_fullStr Quantum Dynamics of Rotational Transitions in CN (X (2)Σ(+)) by H(+) Collisions
title_full_unstemmed Quantum Dynamics of Rotational Transitions in CN (X (2)Σ(+)) by H(+) Collisions
title_short Quantum Dynamics of Rotational Transitions in CN (X (2)Σ(+)) by H(+) Collisions
title_sort quantum dynamics of rotational transitions in cn (x (2)σ(+)) by h(+) collisions
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8657410/
https://www.ncbi.nlm.nih.gov/pubmed/34900947
http://dx.doi.org/10.3389/fchem.2021.790416
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