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EFFECT OF LOCATION OF ENERGY BARRIER ON THE PRODUCT ALIGNMENT OF REACTION A+BC

机译:能量壁垒的位置对反应A + BC产物对齐的影响

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The trajectory calculations of heavy heavy-light, light light-light, heavy light-light, and light heavy-light mass combination reactions on attractive and repulsive potential surfaces have been carried out to study the dependence of the product rotational alignment on collision energies; The calculated results for heavy heavy-light mass combination reaction are compared with the predictions from the constrained product orbital angular momentum model. The final rotational angular momentum was found to be perpendicularly polarized with respect to the reagents' relative velocity vector on either attractive or repulsive potential surface. There is similar behavior of the product rotational alignments as a function of collision energies for heavy heavy-light and heavy light-light reactions, i.e., the more anisotropic the distribution of the product rotational angular momentum vector is, the higher the collision energies are, whether the potential surface is attractive or repulsive. However, the calculations for light light-light mass combination reaction predict that the product rotational alignments depend strongly on collision energies for an attractive potential surface, but this behavior is not observed on the repulsive potential surface. For light heavy-light mass combination, the product rotational alignments hardly depend on collision energies on both potential surfaces. (C) 1996 American Institute of Physics. [References: 31]
机译:为了研究产物旋转取向对碰撞能量的依赖性,已经进行了重重轻,轻轻,重轻,轻重轻质结合反应在有吸引力和排斥势面上的轨迹计算。将重-轻-轻质结合反应的计算结果与约束产品轨道角动量模型的预测结果进行了比较。发现最终旋转角动量相对于试剂在吸引或排斥势能表面上的相对速度矢量垂直极化。对于重的重-轻反应和重-轻-轻反应,产物旋转取向具有相似的行为作为碰撞能量的函数,即,产物旋转角动量矢量的分布越各向异性,则碰撞能量越高,潜在的表面是吸引还是排斥。然而,光-光-质量结合反应的计算预测产物旋转取向在很大程度上取决于吸引势能表面的碰撞能量,但是在排斥势能表面上未观察到这种行为。对于轻重轻质组合,产品旋转排列几乎不依赖于两个潜在表面上的碰撞能量。 (C)1996年美国物理研究所。 [参考:31]

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