Temperature dependence of the fine-structure resolved rate coefficients for collisions of O2(X3Σg-) with He

被引:47
|
作者
Lique, Francois [1 ,2 ]
机构
[1] Univ Havre, LOMC, Le Havre, France
[2] Observ Paris, CNRS, LERMA, UMR 8112, F-92195 Meudon, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2010年 / 132卷 / 04期
关键词
atom-molecule collisions; fine structure; helium; oxygen; potential energy surfaces; rotational states; ROTATIONALLY INELASTIC-COLLISIONS; POTENTIAL-ENERGY SURFACE; CROSS-SECTIONS; 3-SIGMA-ELECTRONIC STATES; ULTRACOLD TEMPERATURES; SCATTERING EXPERIMENTS; DIATOMIC-MOLECULES; QUANTUM SCATTERING; PROPENSITY RULES; AB-INITIO;
D O I
10.1063/1.3299283
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
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页数:7
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