N（2D）＋H2→NH＋H反应的矢量相关研究

Vector Correlation Study on the N（2D） ＋ H2→NH ＋H reaction

基于Ho等人的精确势能面,运用准经典轨线方法,对反应N(2D)+H2(v=0,j=0)→NH+H的矢量相关性质进行了理论研究。结果表明,k-k'两矢量相关的P(θr)分布仅在rθ=90°附近存在极大峰值,且呈现轴对称分布;产物转动角动量矢量j'不仅沿y轴有取向效应,而且沿y轴正方向有定向效应。

The vector correlations between products and reagents for the N（2D） ＋ H2→ NH ＋ H reaction have been calculated by the quasi - classical trajectory （QCT） method on an accurate potential energy surface （PES） of Ho et al. Results indicate that the P（θr） distributions peak at θr = 90°, and exhibit a very good symmetry with respect to 90°. The product rotational angular momentum j＇ is not only aligned, but also oriented along the negative direction of y - axis.