Sensitivity of Exchange‐Reaction Probabilities to the Potential‐Energy Surface
Sensitivity of Exchange‐Reaction Probabilities to the Potential‐Energy Surface
复制标题
交换反应概率对势能面的敏感性
DOI：
10.1063/1.1734151
复制
发表时间：
1963
期刊：
影响因子：
--
通讯作者：
R. Porter
中科院分区：
文献类型：
--
作者：
F. T. Wall;R. Porter
使用作者早先提出的势能面进行了经典力学计算，以研究H+H2共线碰撞的交换。结果表明，在一定的有界范围内，所有能量的反应几率都是1，而在其他地方，反应几率为零。上下界取决于势能面鞍点的位置和原子的相对质量。没有遇到长寿命的碰撞复合体。最终分子的振动能也被发现强烈依赖于鞍点的位置。
Classical‐mechanical calculations were made to study exchange attending collinear collisions of H+H2 using a potential‐energy surface proposed earlier by the authors. It was found that the reaction probability is unity for all energies in a certain bounded range, and zero elsewhere. The lower and upper bounds are dependent upon the position of the saddle point of the potential‐energy surface and the relative masses of the atoms. No long‐lived collision complexes were encountered. The vibrational energies of the final molecules were also found to depend strongly upon the position of the saddle point.