The characteristics of O+HD (υ=0, j=0) reaction dynamics
Luo Wen-Lang(罗文浪)a)b), Ruan Wen (阮文)a)b), Zhang Li (张莉)a), Zhu Zheng-He(朱正和)a)†, and Fu Yi-Bei(傅依备)
a Institute of Atomic and Molecular Physics, Sichuan University, Chendu 610065, China; b College of Information Science, Jinggangshan University, Ji'an 343009, China
Abstract The analytical potential energy function of HDO is constructed at first using the many-body expansion method. The reaction dynamics of O+HD (υ=0, j=0) in five product channels are all studied by quasi-classical trajectory (QCT) method. The results show that the long-lived complex compound HDO is the dominant product at low collision energy. With increasing collision energy, O+HD → OH+D and O+HD → OD+H exchange reactions will occur with remarkable characteristics, such as near threshold energies, different reaction probabilities, and different reaction cross sections, implying the isotopic effect between H and D. With further increasing collision energy (e.g., up to 502.08 kJ/mol), O+HD → O+H+D will occur and induce the complete dissociation into single O, H, and D atoms.
Received: 24 May 2008
Revised: 12 September 2008
Accepted manuscript online:
PACS:
82.30.Cf
(Atom and radical reactions; chain reactions; molecule-molecule reactions)
(Decomposition reactions (pyrolysis, dissociation, and fragmentation))
Fund: Project
supported by the National Natural Science Foundation of China (Grant
No 10676022).
Cite this article:
Luo Wen-Lang(罗文浪), Ruan Wen (阮文), Zhang Li (张莉), Zhu Zheng-He(朱正和), and Fu Yi-Bei(傅依备) The characteristics of O+HD (υ=0, j=0) reaction dynamics 2009 Chin. Phys. B 18 167
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