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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Distribution of Rovibrational Product States for the 'Prompt' Reaction H + D_2(v = 0, j = 0 - 4) → HD(v' = 1,2,j') + D near 1.6 eV Collision Energy
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Distribution of Rovibrational Product States for the 'Prompt' Reaction H + D_2(v = 0, j = 0 - 4) → HD(v' = 1,2,j') + D near 1.6 eV Collision Energy

机译：“快速”反应H + D_2（v = 0，j = 0-4）→HD（v'= 1,2，j'）+ D在1.6 eV碰撞能量附近的振动产物态分布

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摘要

We initiate the reaction H + D_2(v = 0, j = 0 - 4) → HD (v' = 1,2,j') + D by photolyzing HBr in a 1:9 mixture of HBr and D_2 expanded into vacuum through a pulsed nozzle. The same laser pulse that initiates the reaction also detects the HD(v',j') product in a state-specific manner via 2 + 1 REMPI. From the product ion signals we extract HD(v',j') state distributions for the v' = 1,2 manifolds that are compared to existing quasiclassical trajectory (QCT) calculations at similar energies. We find good agreement between calculation and experiment for the distribution of rotational product states within each vibrational manifold. The line-of-centers nearly elastic specular scattering (LOCNESS) model predicts an inverted parabolic distribution of HD(v',j'_(red)) products where j'_(red) = j'/j'_(max), and j'_(max) is the maximum predicted rotational state based on the angle-dependent reaction barrier of the H_3 potential energy surface and previously measured product scattering angle distributions. Additionally, this model is shown to hold for previous measurements of H + D_2 at a collision energy of 1.28 eV.
机译：我们通过在1：9的HBr和D_2混合物中将HBr光解通过真空裂解HBr来引发反应H + D_2（v = 0，j = 0-4）→HD（v'= 1,2，j'）+ D脉冲喷嘴引发反应的同一激光脉冲还通过2 + 1 REMPI以特定状态检测HD（v'，j'）产物。从产物离子信号中，我们提取v'= 1,2歧管的HD（v'，j'）状态分布，并将其与现有的准经典轨迹（QCT）计算结果以相似的能量进行比较。我们在计算和实验之间找到了每个振动歧管内旋转产品状态分布的良好协议。中心线近似弹性镜面散射（LOCNESS）模型可预测HD（v'，j'_（red））乘积的倒抛物线分布，其中j'_（红色）= j'/ j'_（max） ，j'_（max）是基于H_3势能面的角度相关反应势垒和先前测量的产物散射角分布的最大预测旋转状态。此外，该模型显示出可以在碰撞能量为1.28 eV时对H + D_2进行先前的测量。

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