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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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Frontiers Media S.A.
2021
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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. |
format | Online Article Text |
id | pubmed-8657410 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Frontiers Media S.A. |
record_format | MEDLINE/PubMed |
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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