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中国物理学会期刊

O++H2及其同位素取代反应的立体动力学研究

CSTR: 32037.14.aps.59.7796

Stereodynamics study of O+ +H2 reaction and its isotopic variants

CSTR: 32037.14.aps.59.7796
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  • 运用准经典轨线方法,基于RODRIGO势能面,对碰撞能为20 kcal/mol时,O+ +H2及其同位素取代反应的立体动力学性质进行了理论研究,对 k-j' 两矢量相关和k-k'-j' 三矢量相关的分布函数、极化微分反应截面,以及产物转动取向参数进行了详细的讨论.结果表明,O+ +H2→OH+ +H,O+ +DH→OD+ +H和O+

     

    The stereodynamics in the chemical reaction O+ +H2and its isotopic variants at a collision energy of 20 kcal /mol are investigated by using the quasi-classical trajectory (QCT) method on RODRIGO surface. The correlated k- j', k-k'-j' angular distributions, polarization-dependent differential cross sections (PDDCSs) and the product rotational alignment are discussed in detail. The calculations indicate that the stereodynamic properties of the reactions of O+ +H2→OH+ +H、O+ +DH→OD+ +H and O+ +TH→OT++H are sensitive to the mass factor and the repulsive energy of diatomic molecule.

     

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