Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) 鈫?HF(v鈥? j鈥? + H Reaction

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• 作者：Tiangang Yang ; Long Huang ; Tao Wang ; Chunlei Xiao ; Yurun Xie ; Zhigang Sun ; Dongxu Dai ; Maodu Chen ; Donghui Zhang ; Xueming Yang
• 刊名：Journal of Physical Chemistry A
• 出版年：2015
• 出版时间：December 17, 2015
• 年：2015
• 卷：119
• 期：50
• 页码：12284-12290
• 全文大小：480K
• ISSN：1520-5215

文摘

The reaction of fluorine atom with vibrationally excited H₂ 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鈥?= 2, 3, 4 levels. The product angular distributions are predominantly backward scattered except for a small forward signal of HF(v鈥?= 4) at 0.90 kcal/mol. At the collision energy of 0.52 kcal/mol, the forward scattering peak of the HF(v鈥?= 2) product, which arises in F + H₂(v = 0) reaction from the Feshbach resonances, disappears in F + H₂(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 + H₂(v = 1, j = 0) 鈫?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.