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Yang T, Huang L, Wang T, et al. Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v', j') + H Reaction. J Phys Chem A. 2015;119(50):12284-90doi: 10.1021/acs.jpca.5b06395.
Yang, T., Huang, L., Wang, T., Xiao, C., Xie, Y., Sun, Z., Dai, D., Chen, M., Zhang, D., & Yang, X. (2015). Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v', j') + H Reaction. The journal of physical chemistry. A, 119(50), 12284-90. https://doi.org/10.1021/acs.jpca.5b06395
Yang, Tiangang, et al. "Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v', j') + H Reaction." The journal of physical chemistry. A vol. 119,50 (2015): 12284-90. doi: https://doi.org/10.1021/acs.jpca.5b06395
Yang T, Huang L, Wang T, Xiao C, Xie Y, Sun Z, Dai D, Chen M, Zhang D, Yang X. Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v', j') + H Reaction. J Phys Chem A. 2015 Dec 17;119(50):12284-90. doi: 10.1021/acs.jpca.5b06395. Epub 2015 Sep 02. PMID: 26299775.
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J Phys Chem A. 2015 Dec 17;119(50):12284-90. doi: 10.1021/acs.jpca.5b06395. Epub 2015 Sep 02.

Effect of Reagent Vibrational Excitation on the Dynamics of F + H2(v = 1, j = 0) → HF(v', j') + H Reaction.

The journal of physical chemistry. A

Tiangang Yang, Long Huang, Tao Wang, Chunlei Xiao, Yurun Xie, Zhigang Sun, Dongxu Dai, Maodu Chen, Donghui Zhang, Xueming Yang

Affiliations

  1. Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics and Optoelectronic Technology, Dalian University of Technology , Dalian, 116024 Liaoning, P. R. China.
  2. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Science , 457 Zhongshan Road, Dalian, 116023 Liaoning, P. R. China.
  3. Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China , Hefei, Anhui 230026, China.

PMID: 26299775 DOI: 10.1021/acs.jpca.5b06395

Abstract

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' = 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 + 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) → 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.

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