中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Influence of collision energy on the stereodynamics of the H+CH+ -> C+ + H-2 reaction

文献类型:期刊论文

作者Yu Dong-Qi1; Tang Xiao-Ping1,2; Zhou Can-Hua3; He Xiao-Hu2; Yang Yang2,3
刊名ACTA PHYSICA SINICA
出版日期2017-01-20
卷号66期号:2
关键词Quasi-classical Trajectory Method Vector Correlation Reactive Cross Section
ISSN号1000-3290
DOI10.7498/aps.66.023401
文献子类Article
英文摘要The reactive cross section and stereodynamics at selected collision energies for the H(S-2) + CH + (X-1 Sigma(+)) -> C+(P-2) | H-2(X-1 Sigma(+)(g)) reaction on a globally smooth ab initio potential surface of the 2A' state are calculated in detail by the quasi-classical trajectory(QCT) method. The calculated cross section decreases with the increase of the collision energy, which is found to be in overall good agreement with the previous time-dependent quantum results in the high collision energy regime (E-c > 20 meV). The discrepancy between the QCT and previous quantum cross section below 20 meV can be attributed to the limitations of the classical trajectory method, because the QCT method cannot handle the effect of zero point energy. In general, QCT results show qualitative agreement with the quantum results, which confirmsthe validity of the QCT method. The research shows that the product rotational angular momentum vector is aligned and oriented. The alignment of the product rotational angular momentum vector j' depends very sensitively on the collision energy. With the increase of the collision energy, the alignment effect recedesin the low collision energy region (1500 meV), while it is enhanced in the high collision energy region (500-1000 meV). Moreover, the k-k'-j' distributions tend to be asymmetric with respect to the k-k' scattering plane (or about phi(r) - 180 degrees), with two peaks appearing at phi(r) = 90 degrees and phi(r) = 270 degrees, respectively. This indicates that the product rotational angular momentum is not only in the Y-axis direction but also along the positive Y-axis direction. The peak intensity decreases with the collision energy increasing from 1 meV to 100 meV, while it increases with collision energy increasing from 100 meV to 1000 meV. Therefore the Y-axis orientation effect turns weak with the enhancement of the collision energy in the low energy region, while it becomes strong in the high energy region. In addition, the polarization dependent differential cross sections (PDDCSs) (2 pi/sigma) (d sigma(00)/dw(t)) and (2 pi/sigma) (d sigma(20)/dw(t)) are calculated. PDDCS (2 pi/sigma) (d sigma(00)/dw(t)) results indicate that the products have almost symmetrically scattered forward and backward, and the intensity of the scattering increases with the increase of the collision energy. The PDDCS (2 pi/sigma) (d sigma(20)/dw(t)) shows that the alignment effect of the rotational angular momentum of the products is stronger at the terminal of the scattering angle than at the other directions.
WOS关键词CROSS-SECTIONS ; CH+ IONS ; H-ATOMS ; EXCITATION ; THRESHOLD ; DYNAMICS ; CLOUDS
WOS研究方向Physics
语种英语
WOS记录号WOS:000397107800010
出版者CHINESE PHYSICAL SOC
源URL[http://cas-ir.dicp.ac.cn/handle/321008/169510]  
专题大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者Yu Dong-Qi; He Xiao-Hu
作者单位1.Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian 116029, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Chem Lasers, Dalian 116023, Peoples R China
推荐引用方式
GB/T 7714
Yu Dong-Qi,Tang Xiao-Ping,Zhou Can-Hua,et al. Influence of collision energy on the stereodynamics of the H+CH+ -> C+ + H-2 reaction[J]. ACTA PHYSICA SINICA,2017,66(2).
APA Yu Dong-Qi,Tang Xiao-Ping,Zhou Can-Hua,He Xiao-Hu,&Yang Yang.(2017).Influence of collision energy on the stereodynamics of the H+CH+ -> C+ + H-2 reaction.ACTA PHYSICA SINICA,66(2).
MLA Yu Dong-Qi,et al."Influence of collision energy on the stereodynamics of the H+CH+ -> C+ + H-2 reaction".ACTA PHYSICA SINICA 66.2(2017).

入库方式: OAI收割

来源:大连化学物理研究所

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