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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| Format: | Article |
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Frontiers Media S.A.
2021-11-01
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| Series: | Frontiers in Chemistry |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2021.790416/full |
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| author | Bhargava Anusuri T. J. Dhilip Kumar Sanjay Kumar |
| author_facet | Bhargava Anusuri T. J. Dhilip Kumar Sanjay Kumar |
| author_sort | Bhargava Anusuri |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-14T14:33:32Z |
| format | Article |
| id | doaj.art-0098ea19f0f944ada26dac2d5df8a255 |
| institution | Directory Open Access Journal |
| issn | 2296-2646 |
| language | English |
| last_indexed | 2024-12-14T14:33:32Z |
| publishDate | 2021-11-01 |
| publisher | Frontiers Media S.A. |
| record_format | Article |
| series | Frontiers in Chemistry |
| spelling | doaj.art-0098ea19f0f944ada26dac2d5df8a2552022-12-21T22:57:44ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462021-11-01910.3389/fchem.2021.790416790416Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ CollisionsBhargava Anusuri0T. J. Dhilip Kumar1Sanjay Kumar2Department of Chemistry, Indian Institute of Technology Madras, Chennai, IndiaDepartment of Chemistry, Indian Institute of Technology Ropar, Rupnagar, IndiaDepartment of Chemistry, Indian Institute of Technology Madras, Chennai, IndiaCollisional 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.https://www.frontiersin.org/articles/10.3389/fchem.2021.790416/fullProton-CNcollisionsquantum calculationsrotational excitationscross sectionsinterstellar medium |
| spellingShingle | Bhargava Anusuri T. J. Dhilip Kumar Sanjay Kumar Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions Frontiers in Chemistry Proton-CN collisions quantum calculations rotational excitations cross sections interstellar medium |
| title | 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_short | Quantum Dynamics of Rotational Transitions in CN (X2Σ+) by H+ Collisions |
| title_sort | quantum dynamics of rotational transitions in cn x2σ by h collisions |
| topic | Proton-CN collisions quantum calculations rotational excitations cross sections interstellar medium |
| url | https://www.frontiersin.org/articles/10.3389/fchem.2021.790416/full |
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