The relaxation of vibrationally excited O2 molecules by atomic oxygen

被引:48
|
作者
Esposito, Fabrizio
Capitelli, Mario
机构
[1] CNR, Inst Inorgan Methodol & Plasmas, I-70126 Bari, Italy
[2] Univ Bari, Dept Chem, I-70126 Bari, Italy
关键词
D O I
10.1016/j.cplett.2007.06.099
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
A complete set of V-T (vibration-translation) relaxation rates of vibrationally excited oxygen molecules by parent atoms has been obtained by running quasiclassical trajectories on an accurate potential energy surface. The results have been validated by comparing them with old and new experimental data. Satisfactory agreement has been obtained with recent low temperature experimental data. Comparison with older rate coefficients obtained at higher temperature prompts the elaboration of new experiments not based on the application of models restricted to monoquantum transitions. It is in fact apparent from the calculations the importance of multiquantum processes. (C) 2007 Elsevier B.V. All rights reserved.
引用
收藏
页码:222 / 226
页数:5
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