中国物理B ›› 2009, Vol. 18 ›› Issue (10): 4264-4273.doi: 10.1088/1674-1056/18/10/029

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Quantum stereodynamics study for the reaction F + HD

刘玉芳, 张伟, 施德恒, 孙金锋   

  1. Department of Physics, Henan Normal University, Xinxiang 453007, China
  • 收稿日期:2008-08-18 修回日期:2009-02-17 出版日期:2009-10-20 发布日期:2009-10-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 10574039), the Key Project of Science and Technology Research of Education Ministry of China (Grant No 206084), the Innovation Scientists and Technicians Troop Construction Pr

Quantum stereodynamics study for the reaction F + HD

Liu Yu-Fang(刘玉芳)†, Zhang Wei(张伟), Shi De-Heng(施德恒), and Sun Jin-Feng(孙金锋)   

  1. Department of Physics, Henan Normal University, Xinxiang 453007, China
  • Received:2008-08-18 Revised:2009-02-17 Online:2009-10-20 Published:2009-10-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 10574039), the Key Project of Science and Technology Research of Education Ministry of China (Grant No 206084), the Innovation Scientists and Technicians Troop Construction Pr

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摘要： This paper studies the quantum stereodynamics of the F + HD(υ = 0, j = 0) → HD + F/HF + D reaction at the collision energies of 0.52 and 0.87~kcal/mol. The quantum scattering calculations, based on Stark-Werner potential energy surfaces, show that the differential cross sections for the HF(υ' = 2) + D and DF(υ' = 3) + H channels are consistent with the recent theoretical results. Furthermore, the product rotational angular momentum orientation and alignment have been determined for some selected rovibrational states of the HF + D and DF + H channels.

Abstract: This paper studies the quantum stereodynamics of the F + HD($\upsilon$ = 0, j = 0) → HD + F/HF + D reaction at the collision energies of 0.52 and 0.87 kcal/mol. The quantum scattering calculations, based on Stark-Werner potential energy surfaces, show that the differential cross sections for the HF($\upsilon'$ = 2) + D and DF($\upsilon'$ = 3) + H channels are consistent with the recent theoretical results. Furthermore, the product rotational angular momentum orientation and alignment have been determined for some selected rovibrational states of the HF + D and DF + H channels.

Key words: stereodynamics, differential cross section, polarization parameters

中图分类号:  (Atom and radical reactions; chain reactions; molecule-molecule reactions)

  • 82.30.Cf
82.20.Ej (Quantum theory of reaction cross section) 82.20.Hf (Product distribution) 82.20.Kh (Potential energy surfaces for chemical reactions)