Temperature dependence of the fine-structure resolved rate coefficients for collisions of O(2)(X(3)Sigma(g) (-)) with He.
Identifieur interne : 000217 ( PubMed/Checkpoint ); précédent : 000216; suivant : 000218Temperature dependence of the fine-structure resolved rate coefficients for collisions of O(2)(X(3)Sigma(g) (-)) with He.
Auteurs : François Lique [France]Source :
- The Journal of chemical physics [ 1089-7690 ] ; 2010.
Abstract
Rotational excitation of the O(2)(X(3)Sigma(g) (-)) with He is investigated. The calculations are based on the potential energy surface of Groenenboom and Struniewicz [J. Chem. Phys. 113, 9562 (2000)]. Close coupling calculations of the collisional excitation cross sections of the fine-structure levels of O(2) by He are calculated for energies up to 2500 cm(-1) which yield, after thermal average, rate coefficients up to 350 K. The exact level splitting is taken into account. The propensity rules between fine-structure levels are studied and it is shown that F-conserving cross sections are much larger, especially for high-N rotational levels, than F-changing cross sections, as expected from theoretical considerations. The rate coefficients are almost independent of the rotational quantum number of the O(2) molecule for F-conserving transitions. The new rate coefficients can induce important consequences on astrophysical modeling.
DOI: 10.1063/1.3299283
PubMed: 20113037
Affiliations:
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<front><div type="abstract" xml:lang="en">Rotational excitation of the O(2)(X(3)Sigma(g) (-)) with He is investigated. The calculations are based on the potential energy surface of Groenenboom and Struniewicz [J. Chem. Phys. 113, 9562 (2000)]. Close coupling calculations of the collisional excitation cross sections of the fine-structure levels of O(2) by He are calculated for energies up to 2500 cm(-1) which yield, after thermal average, rate coefficients up to 350 K. The exact level splitting is taken into account. The propensity rules between fine-structure levels are studied and it is shown that F-conserving cross sections are much larger, especially for high-N rotational levels, than F-changing cross sections, as expected from theoretical considerations. The rate coefficients are almost independent of the rotational quantum number of the O(2) molecule for F-conserving transitions. The new rate coefficients can induce important consequences on astrophysical modeling.</div>
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<Abstract><AbstractText>Rotational excitation of the O(2)(X(3)Sigma(g) (-)) with He is investigated. The calculations are based on the potential energy surface of Groenenboom and Struniewicz [J. Chem. Phys. 113, 9562 (2000)]. Close coupling calculations of the collisional excitation cross sections of the fine-structure levels of O(2) by He are calculated for energies up to 2500 cm(-1) which yield, after thermal average, rate coefficients up to 350 K. The exact level splitting is taken into account. The propensity rules between fine-structure levels are studied and it is shown that F-conserving cross sections are much larger, especially for high-N rotational levels, than F-changing cross sections, as expected from theoretical considerations. The rate coefficients are almost independent of the rotational quantum number of the O(2) molecule for F-conserving transitions. The new rate coefficients can induce important consequences on astrophysical modeling.</AbstractText>
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