Effects of rotational excitation on vibrationally excited reaction of F+H2 (<i>v</i>=1, <i>j</i>=1)→HF+H at collision energy of 0.62 kcal/mol

The F+H2 reaction has long been a benchmark system in reaction dynamics. We report here a combined experimental and theoretical study on the F+H2(v=1, j=1) reaction at a collision energy of 0.62 kcal/mol. The rotational state-resolved differential cross sections (DCSs) as well as the integral cross sections (ICSs) were obtained by the crossed beam experiment and the quantum dynamical calculation. It is found that the rotationally excited state F+H2(v=1, j=1) reaction produces rotationally hotter but vibrationally colder products, compared with the rotational ground state reaction at the same total energy. The stereodynamics of the F+H2(v=1, j=1) reaction is also analyzed theoretically, showing that minor differences exist for the reactants initially prepared in different spatial alignments.

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Publication Details

Journal
Chinese Journal of Chemical Physics
Published
2024-11-04
DOI
https://doi.org/10.1063/1674-0068/cjcp2409119
Citations
1
Primary Topic
Spectroscopy and Laser Applications
Type
article
Field-Weighted Citation Impact
0.24
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article

Effects of rotational excitation on vibrationally excited reaction of F+H2 (v=1, j=1)→HF+H at collision energy of 0.62 kcal/mol

1 citations
Chinese Journal of Chemical Physics
Spectroscopy and Laser Applications
0.24
article

Effects of rotational excitation on vibrationally excited reaction of F+H2 (v=1, j=1)→HF+H at collision energy of 0.62 kcal/mol

article en
1 citations

Abstract

The F+H2 reaction has long been a benchmark system in reaction dynamics. We report here a combined experimental and theoretical study on the F+H2(v=1, j=1) reaction at a collision energy of 0.62 kcal/mol. The rotational state-resolved differential cross sections (DCSs) as well as the integral cross sections (ICSs) were obtained by the crossed beam experiment and the quantum dynamical calculation. It is found that the rotationally excited state F+H2(v=1, j=1) reaction produces rotationally hotter but vibrationally colder products, compared with the rotational ground state reaction at the same total energy. The stereodynamics of the F+H2(v=1, j=1) reaction is also analyzed theoretically, showing that minor differences exist for the reactants initially prepared in different spatial alignments.

Chinese Journal of Chemical PhysicsVol. 37(6)
Shenzhen Institute of Information Technology (CN), Dalian Institute of Chemical Physics (CN), Southern University of Science and Technology (CN), Hefei University (CN), University of Chinese Academy of Sciences (CN)
Affordable and clean energy
Openalex Percentile: Top 48%
Spectroscopy and Laser Applications
0.24
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