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Theoretical Study of the Reagent Rotational Excitation dependence for the Reactions Li + TF (v=0, j=0-5) → LiF + T

机译:反应反应的试剂旋转激发依赖性的理论研究Li + Tf(v = 0,J = 0-5)→LiF + T.

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A quasiclassical trajectory calculation is carried out to investigate the effect of reagent rotational excitation on product rotational polarization in the reactions Li + TF(v=0, j=0-5) → LiF + T. It is found that the reagent rotational excitation slightly effect the product rotational alignment. However, the product rotational orientation becomes stronger and stronger with the increase of the reagent rotational quantum number from j=0 to j=5. The reaction mechanism for the title reactions changes from direct for j=0-1 to indirect for j=2-5.
机译:进行了拟痉挛的轨迹计算,以研究试剂旋转激发对产物旋转偏振的影响Li + Tf(V = 0,J = 0-5)→LiF + T.发现试剂旋转激发略微效果旋转对准。然而,产品旋转方向变得更强,更强,随着J = 0到J = 5的试剂旋转量子数的增加。标题反应的反应机制从j = 0-1的直接变化为j = 2-5的间接变化。

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