Stereodynamics of the O(3P) with H2 (D2) (v=0, j=0) reaction

doi:10.1088/1674-1056/20/7/078201

中国物理B ›› 2011, Vol. 20 ›› Issue (7): 78201-078201.doi: 10.1088/1674-1056/20/7/078201

Stereodynamics of the O(³P) with H₂ (D₂) (v=0, j=0) reaction

刘玉芳, 和小虎, 施德恒, 孙金锋

Department of Physics, Henan Normal University, Xinxiang 453007, China

收稿日期:2010-10-16 修回日期:2010-12-04 出版日期:2011-07-15 发布日期:2011-07-15

Stereodynamics of the O(³P) with H₂ (D₂) ($\nu$=0, j=0) reaction

Liu Yu-Fang(刘玉芳)^†, He Xiao-Hu(和小虎), Shi De-Heng(施德恒), and Sun Jin-Feng(孙金锋)

Department of Physics, Henan Normal University, Xinxiang 453007, China

Received:2010-10-16 Revised:2010-12-04 Online:2011-07-15 Published:2011-07-15

摘要/Abstract

摘要： Quasi-classical trajectory theory is used to study the reaction of O(³P) with H₂ (D₂) based on the ground ³A'' potential energy surface (PES). The reaction cross section of the reaction O+H₂ → OH+H is in excellent agreement with the previous result. Vector correlations, product rotational alignment parameters 〈P₂ (j'·k)〉 and several polarized-dependent differential cross sections are further calculated for the reaction. The product polarization distribution exhibits different characteristics that can be ascribed to different motion paths on the PES, arising from various collision energies or mass factors.

关键词: quasi-classical trajectory method, O+H₂ reaction, reaction cross section, vector correlation

Abstract: Quasi-classical trajectory theory is used to study the reaction of O(³P) with H₂ (D₂) based on the ground ³A'' potential energy surface (PES). The reaction cross section of the reaction O+H₂ → OH+H is in excellent agreement with the previous result. Vector correlations, product rotational alignment parameters 〈P₂ (j'·k)〉 and several polarized-dependent differential cross sections are further calculated for the reaction. The product polarization distribution exhibits different characteristics that can be ascribed to different motion paths on the PES, arising from various collision energies or mass factors.

Key words: quasi-classical trajectory method, O+H₂ reaction, reaction cross section, vector correlation

中图分类号: (State selected dynamics and product distribution)

82.20.Bc

31.15.xv (Molecular dynamics and other numerical methods) 34.50.Lf (Chemical reactions)

刘玉芳, 和小虎, 施德恒, 孙金锋. Stereodynamics of the O(³P) with H₂ (D₂) (v=0, j=0) reaction[J]. 中国物理B, 2011, 20(7): 78201-078201.

Liu Yu-Fang(刘玉芳), He Xiao-Hu(和小虎), Shi De-Heng(施德恒), and Sun Jin-Feng(孙金锋). Stereodynamics of the O(³P) with H₂ (D₂) ($\nu$=0, j=0) reaction[J]. Chin. Phys. B, 2011, 20(7): 78201-078201.

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Stereodynamics of the O(³P) with H₂ (D₂) (v=0, j=0) reaction

Stereodynamics of the O(³P) with H₂ (D₂) ($\nu$=0, j=0) reaction

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