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Stereodynamics of O(3P)+H2 at Scattering Energies of 0.5, 0.75, and 1.0 eV
Victor Wei-keh Wu*
作者单位E-mail
Victor Wei-keh Wu* 国立高雄应用科技大学化学材料工程系, 高雄80782胜利者基础研究实验室比勒费尔德D-33602 德国 victorbres3tw@yahoo.com.tw 
摘要:
采用准经典轨线理论,在最低电子势能面13A”上,对反应在三个不同的散射能量0.5、0.75和1.0 V 进行计算. 介绍了反应物的相对速率矢量k和产物的转动角动量j相关的极角分布,k-k'-j'(k'产物的相对速率矢量) 三矢量相关的方位角和二面角的分布,三维分布,以及与散射角有关的极化微分反应截面.
关键词:  准经典轨线,立体动力学,转动角动量,极化微分反应截面
DOI:10.1088/1674-0068/23/02/149-154
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Stereodynamics of O(3P)+H2 at Scattering Energies of 0.5, 0.75, and 1.0 eV
Victor Wei-keh Wu*
Abstract:
Quasiclassical trajectory calculation of the title reaction O(3P)+H2→OH+H at three different scattering energies of 0.5, 0.75, and 1.0 eV on the lowest electronic potential energy surface 13A" has been done. Distribution P(θr) of polar angles between the relative velocityk of the reactant and rotational angular momentum vector j' of the product, distribution P(φr) of the azimuthal as well as dihedral angles correlating k-k'-j', 3-dimensional distri-bution, and polarization-dependent differential cross sections (PDDCSs)dependent upon the scattering angle of the product molecule OH between the relative velocity k of the reactant and k' of the product at different scattering energies of 0.5, 0.75, and 1.0 eV are presented and discussed.
Key words:  Quasiclassical trajectory calculation, Stereodynamics, Alignment, Rotational angular momentum, Polarization-dependent differential cross section, O+H2 reaction