4.6 Article

Product rotational angular momentum polarization in the reaction O(D-1(2))+H-2 -> OH+H

期刊

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 2, 期 4, 页码 571-580

出版社

ROYAL SOC CHEMISTRY
DOI: 10.1039/a908928d

关键词

-

向作者/读者索取更多资源

The stereodynamics of the title reaction on two ab initio versions of the ground (A') state potential energy surface, and one version of the excited (A ) state potential surface, have been studied in detail using quasi-classical trajectory methods. The calculations were carried out at a collision energy of 0.1 eV (equivalent to 9.6 kJ mol(-1)). The polarizations of the reagent and product orbital angular momenta (l and l'), and of the product rotational angular momenta (j') in the (k,k') scattering frame were found to be very sensitive to the OH(upsilon',j') rovibrational product state, and to the choice of potential energy surface employed. Differences in the angular momentum polarization with potential energy surface are traced to differences in microscopic reaction mechanism. State resolved orientation and alignment of the OH product rotational angular momentum are shown to be potential keys to understanding the dynamics on the attractive ground state surface, and to elucidating the degree of involvement of excited electronic state surfaces.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据