首页> 外文会议>International Conference on Chemical Engineering and Advanced Materials >Effect of Reagent Vibrational Excitation on Product Rotational Polarization in Reactions Li + DF (v=0-3, j=0)→ LiF(v', j') + D
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Effect of Reagent Vibrational Excitation on Product Rotational Polarization in Reactions Li + DF (v=0-3, j=0)→ LiF(v', j') + D

机译:试剂振动激发对反应中产物旋转极化的影响Li + DF(V = 0-3,J = 0)→LiF(V',J')+ D.

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A quasiclassical trajectory calculation is carried out to investigate the effect of reagent vibrational excitation on product rotational polarization in the reactions Li + DF (v=0-3, j=0) → LiF(v', j') + D. It is found that the reagent vibational excitation highly enhanced the product rotational alignment, however, the enhancement is not monotonically increasing with the gradual increase of the vibrational quantum number from v=0 to v=3. The product rotational orientation varies from the negative to positive direction of y axis with the increasing vibrational quantum number from v=0 to v=3.
机译:进行了一种拟痉挛的轨迹计算,以研究试剂振动激发在反应Li + DF(V = 0-3,J = 0)→LiF(V',J')+ D中的产品旋转偏振对产物旋转偏振的影响。它是发现试剂振动激发高度增强了产品旋转对准,然而,随着v = 0至V = 3的振动量子数的逐渐增加而不是单调增加的增强。产品旋转取向从Y轴的负向正方向变化,随着V = 0至V = 3的增加,振动量子数增加。

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