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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Effect of Reagent Vibrational Excitation on the Dynamics of F + H-2(v=1, j=0) - HF(v ', j ') plus H Reaction
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Effect of Reagent Vibrational Excitation on the Dynamics of F + H-2(v=1, j=0) - HF(v ', j ') plus H Reaction

机译：试剂振动激发对F + H-2（v = 1，j = 0）-> HF（v'，j'）加H反应动力学的影响

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摘要

The reaction of fluorine atom with vibrationally excited H-2 at v = 1 has been studied using a high resolution crossed Molecular beam apparatus at collision energies of 0.52 and 0.90 kcal/mol. Product HF rotational state-resolved differential cross sections (DCSs) were measured at v' = 2, 3, 4 levels. The product angular distributions are predominantly backward scattered except for a small forward signal of HF(v' = 4) at 0.90 kcal/mol. At the collision energy of 0.52 kcal/mol, the forward scattering peak of the HF(v' = 2) product, which arises in F + H-2(v = 0) reaction from the Feshbach resonances, disappears in F + H-2(v = 1) reaction. Oscillatory structures do not appear in the backward direction of the scattering as the collision energy increases from 0.4 to 2.0 kcal/mol, indicating there are no:explicit reaction resonances in the F + H-2(v = 1, j = 0) > HF + H reaction in the studied energy range. Quantum dynamics calculations on a highly accurate potential energy surface are in good agreement with the experimental results and reveal that the reaction occurs via likely a direct abstraction mechanism, not via long-lived reactive resonances.
机译：已经使用高分辨率交叉分子束装置在碰撞能量为0.52和0.90 kcal / mol的条件下研究了氟原子与振动激发的H-2在v = 1时的反应。在v'= 2、3、4的水平下测量了产物HF旋转状态分辨的微分截面（DCS）。产物角分布主要是向后散射，除了在0.90 kcal / mol时有一个小的HF（v'= 4）正向信号。在碰撞能量为0.52 kcal / mol时，由Feshbach共振在F + H-2（v = 0）反应中产生的HF（v'= 2）产物的前向散射峰消失。 2（v = 1）反应。当碰撞能量从0.4 kcal / mol增加到2.0 kcal / mol时，振荡结构不会出现在散射的反向方向，这表明F + H-2中没有明确的反应共振（v = 1，j = 0）>在研究的能量范围内发生HF + H反应。在高度精确的势能表面上进行的量子动力学计算与实验结果非常吻合，表明该反应可能是通过直接的抽象机制发生的，而不是通过长寿命的反应共振发生的。

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