A COMPARISON BETWEEN EXPERIMENTAL, QUANTUM AND QUASI-CLASSICAL PROPERTIES FOR THE N(S-4)+O-2(X(3)SIGMA(G))-]NO(X(2)PI)+O(P-3) REACTION

被引:42
作者
GILIBERT, M
GIMENEZ, X
GONZALEZ, M
SAYOS, R
AGUILAR, A
机构
[1] Departament de Química Física, Universitat de Barcelona, 08028 Barcelona, Martí i Franquès
关键词
D O I
10.1016/0301-0104(94)00341-7
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 detailed reactive infinite order sudden approximation (R-IOSA) study of the reactivity of the N(S-4) + O-2 system has been carried out in the 0.53-1.5 eV translational energy range. Results have been compared with experimental and quasiclassical trajectory (QCT) data. The general dynamical features already obtained within the QCT framework have been reproduced. In addition, the R-IOSA product vibrational distribution matches almost quantitatively the experimental one. The relative importance of the different upsilon' contributions, both to the classical and quantum more averaged quantities has been interpreted with the help of the state-to-state opacity function. Finally, the alternating vibrational distribution and its evolution with translational energy are discussed within the context of a Franck-Condon type model.
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页码:1 / 15
页数:15
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