Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376777 | Chemical Physics | 2006 | 7 Pages |
Abstract
The vector correlations between products and reagents for the chemical reaction N(4S)+O2(X3Σg-)âO(3P)+NO(X2Î ) are studied using quasiclassical trajectory (QCT) method at different collision energies on the lowest 2Aâ² and 4Aâ² potential energy surfaces (PESs) given by Sayós et al. [ R. Sayós, C. Oliva, M. González, J. Chem. Phys. 117 (2002) 670]. The results indicate that the rotational polarizations of product NO on the two PESs present different characters for different collision energies. The product rotational angular momentum jâ² is not only aligned, but also oriented along the direction perpendicular to the scattering plane on the two PESs. On the 2Aâ² PES, the product NO mainly tends to be scattered forward as the collision energy increases. And on the 4Aâ² PES the product displays a switch from the near isotropic scattering to the forward one with the increase of collision energy. At the same collision energy, the product rotational angular momentum is more strongly aligned on the 4Aâ² PES than on the 2Aâ² PES. These differences arise from the different constructions of the two PESs.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Jian-Jun Ma, Mao-Du Chen, Shu-Lin Cong, Ke-Li Han,