Stereodynamics of the reaction He+H2+ → HeH+ + H: a theoretical study

• Authors: Tianyun Chen , Ningjiu Zhao , Weiping Zhang , Xinqiang Wang
• Languages of publication: EN

Abstracts

EN

Quasiclassical trajectory method for the title reaction He +H2+ → HeH+ + H was carried out on the potential energy surface which was revised by Aquilanti et al. [Chem. Phys. Lett. 469, 26 (2009)]. The initial vibrational quantum number of reactant was set as v=1, v=2 and v=3. Stereodynamics information of the reaction was obtained, such as the distributions of product angular momentum P(θ
r), P(ϕ
r),p(ϕ
r, θ
r) and the two commonly used polarization-dependent differential cross sections (PDDCSs) (2π/σ)(dσ
00/dω
t) and (2π/σ)(dσ
20/dω
t), to get the alignment and orientation of product molecules. The results show that the influence of both the collision energy and vibrational quantum number (v) to the reaction are highly sensitive.

Keywords

EN

quasiclassical trajectory; stereodynamics; alignment and orientation

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2011
• Volume: 9
• Issue: 5
• Pages: 1221-1227

Dates

published

1 - 10 - 2011

online

15 - 9 - 2011

Contributors

author

Tianyun Chen

• School of Materials Science and Engineering, Dalian University of Technology, Dalian, 116024, China

author

Ningjiu Zhao

• Department of Chemistry, Hebei Normal University of Science and Technology, Qinhuangdao, 066600, China

author

Weiping Zhang

• School of Materials Science and Engineering, Dalian University of Technology, Dalian, 116024, China

author

Xinqiang Wang

• College of Physics, Chongqing University, Chongqing, China

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Identifiers

DOI

10.2478/s11534-011-0015-6