Experimental Studies and Theoretical Predictions for the H + D2 → > HD + D Reaction
Experimental Studies and Theoretical Predictions for the H + D2 → > HD + D Reaction
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H + D2 的实验研究和理论预测 → > HD + D 反应
DOI：
10.1126/science.269.5221.207
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发表时间：
1995
期刊：
影响因子：
56.9
通讯作者：
R. Wyatt
中科院分区：
文献类型：
--
作者：
L. Schnieder;K. Seekamp;J. Borkowski;E. Wrede;K. Welge;F. Aoiz;L. Bañiares;M. D'mello;V. Herrero;V. S. Rábanos;R. Wyatt
H + H2 交换反应构成了一个极好的基准，可用于根据实验来检验动力学理论。利用里德堡原子飞行时间光谱技术，在碰撞能量为 1.28 电子伏的交叉分子束中研究了 H + D2（振动量子数 v = 0，旋转量子数 j = 0）反应。所达到的实验分辨率允许确定完全旋转状态分辨的微分横截面。高分辨率数据可以对准经典轨迹（QCT）和量子力学（QM）计算的适用性和质量进行详细评估。实验结果与 QM 结果非常吻合，与 QCT 结果吻合稍差。实验数据的理论再现是在没有明确考虑几何相位效应的情况下实现的。
The H + H2 exchange reaction constitutes an excellent benchmark with which to test dynamical theories against experiments. The H + D2 (vibrational quantum number v = 0, rotational quantum number j = 0) reaction has been studied in crossed molecular beams at a collision energy of 1.28 electron volts, with the use of the technique of Rydberg atom time-of-flight spectroscopy. The experimental resolution achieved permits the determination of fully rovibrational state-resolved differential cross sections. The high-resolution data allow a detailed assessment of the applicability and quality of quasi-classical trajectory (QCT) and quantum mechanical (QM) calculations. The experimental results are in excellent agreement with the QM results and in slightly worse agreement with the QCT results. This theoretical reproduction of the experimental data was achieved without explicit consideration of geometric phase effects.