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利用准经典轨线方法在LEPS势能面上对放热反应O(3P)+HBr(ν=0,j=0)→OH(ν’,j’)在碰撞能为0.4,0.8,1.2 eV下的矢量相关性质进行了计算研究,得到了k–j’两矢量相关的P(θr)分布,二面角分布P(r),以及四个微粉散射截面.计算结果显示产物角动量不仅沿着质心坐标系的Y轴取向,而且还在负Y轴方向定向.增加碰撞能使得OH产物更趋于前向散射,并与实验结果作比较,给出了合理的动力学解释.另外产物的角动量极化对碰撞能的改变敏感.
The quasi-classical trajectory method was used to simulate the exothermic reaction of O (3P) + HBr (ν = 0, j = 0) → OH (ν ’, j’) on the LEPS potential energy surface at the collision energy of 0.4, 0.8 and 1.2 eV (Θr), dihedral angle distribution P (r), and four powder scattering cross sections of k-j ’are calculated.The calculated results show that the angular momentum of the product not only along Y axis orientation of the centroid coordinate system, but also oriented in the negative Y axis direction.With increasing the collision, the OH product tends to forward scatter more and compared with the experimental results, and a reasonable kinetic explanation is given. Angular momentum polarization is sensitive to changes in impact energy.