Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions

Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X2Σ+) 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 p...

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Autores principales:	Bhargava Anusuri, T. J. Dhilip Kumar, Sanjay Kumar
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	Proton-CN collisions quantum calculations rotational excitations cross sections interstellar medium Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/0098ea19f0f944ada26dac2d5df8a255
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spelling	oai:doaj.org-article:0098ea19f0f944ada26dac2d5df8a2552021-12-01T02:54:57ZQuantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions2296-264610.3389/fchem.2021.790416https://doaj.org/article/0098ea19f0f944ada26dac2d5df8a2552021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fchem.2021.790416/fullhttps://doaj.org/toc/2296-2646Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X2Σ+) 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.Bhargava AnusuriT. J. Dhilip KumarSanjay KumarFrontiers Media S.A.articleProton-CNcollisionsquantum calculationsrotational excitationscross sectionsinterstellar mediumChemistryQD1-999ENFrontiers in Chemistry, Vol 9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Proton-CN collisions quantum calculations rotational excitations cross sections interstellar medium Chemistry QD1-999
spellingShingle	Proton-CN collisions quantum calculations rotational excitations cross sections interstellar medium Chemistry QD1-999 Bhargava Anusuri T. J. Dhilip Kumar Sanjay Kumar Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions
description	Collisional cross-sections of inelastic rotational excitations of CN in its ground electronic state (X2Σ+) 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	article
author	Bhargava Anusuri T. J. Dhilip Kumar Sanjay Kumar
author_facet	Bhargava Anusuri T. J. Dhilip Kumar Sanjay Kumar
author_sort	Bhargava Anusuri
title	Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions
title_short	Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions
title_full	Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions
title_fullStr	Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions
title_full_unstemmed	Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions
title_sort	quantum dynamics of rotational transitions in cn (x2σ+) by h+ collisions
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/0098ea19f0f944ada26dac2d5df8a255
work_keys_str_mv	AT bhargavaanusuri quantumdynamicsofrotationaltransitionsincnx2sbyhcollisions AT tjdhilipkumar quantumdynamicsofrotationaltransitionsincnx2sbyhcollisions AT sanjaykumar quantumdynamicsofrotationaltransitionsincnx2sbyhcollisions
_version_	1718405881597526016

Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions

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