Volume 8, Issue 3
Influences of the Low Collision Energies and Isotopic Variants on the Stereodynamics for Reactions Li+DF/TF→LiF+D/T

Xin Zhuang, Junmei Song, Luyan Sun, Tiantian Wang & Xinguo Liu

J. At. Mol. Sci., 8 (2017), pp. 117-121.

Published online: 2017-08

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  • Abstract

Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of $P(θ_r)$ and $P(\phi_r),$ which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor $〈P_2(cosθ_r)〉$ as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, ${\rm PDDCS}_{00},$ ${\rm PDDCS}_{20},$ ${\rm PDDCS}_{21-}$ and ${\rm PDDCS}_{22+}$ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.

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COPYRIGHT: © Global Science Press

  • Email address

liuxinguo@sdnu.edu.cn (Xinguo Liu)

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@Article{JAMS-8-117, author = {Zhuang , XinSong , JunmeiSun , LuyanWang , Tiantian and Liu , Xinguo}, title = {Influences of the Low Collision Energies and Isotopic Variants on the Stereodynamics for Reactions Li+DF/TF→LiF+D/T}, journal = {Journal of Atomic and Molecular Sciences}, year = {2017}, volume = {8}, number = {3}, pages = {117--121}, abstract = {

Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of $P(θ_r)$ and $P(\phi_r),$ which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor $〈P_2(cosθ_r)〉$ as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, ${\rm PDDCS}_{00},$ ${\rm PDDCS}_{20},$ ${\rm PDDCS}_{21-}$ and ${\rm PDDCS}_{22+}$ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.101317.121217a}, url = {http://global-sci.org/intro/article_detail/jams/12552.html} }
TY - JOUR T1 - Influences of the Low Collision Energies and Isotopic Variants on the Stereodynamics for Reactions Li+DF/TF→LiF+D/T AU - Zhuang , Xin AU - Song , Junmei AU - Sun , Luyan AU - Wang , Tiantian AU - Liu , Xinguo JO - Journal of Atomic and Molecular Sciences VL - 3 SP - 117 EP - 121 PY - 2017 DA - 2017/08 SN - 8 DO - http://doi.org/10.4208/jams.101317.121217a UR - https://global-sci.org/intro/article_detail/jams/12552.html KW - Quasi-classical trajectory, Stereodynamics, Product angular distribution, Polarization-dependent generalized differential cross sections, Mass factor. AB -

Stereodynamics for Li+DF/TF→LiF+D/T reactions are studied using the quasi-classical trajectory method based on a new potential energy surface constructed by Aguado and Paniaga [J. Chem. Phys. 119 (2003) 10088]. The product angular distributions of $P(θ_r)$ and $P(\phi_r),$ which reflect the vector correlation, are calculated and discussed. The average rotational alignment factor $〈P_2(cosθ_r)〉$ as function of the collision energy is also presented. Furthermore, four polarization-dependent differential cross sections (PDDCSs), namely, ${\rm PDDCS}_{00},$ ${\rm PDDCS}_{20},$ ${\rm PDDCS}_{21-}$ and ${\rm PDDCS}_{22+}$ are calculated as well. By comparing the stereodynamics results of the title reactions, we find that the isotopic effects are relatively obvious.

Zhuang , XinSong , JunmeiSun , LuyanWang , Tiantian and Liu , Xinguo. (2017). Influences of the Low Collision Energies and Isotopic Variants on the Stereodynamics for Reactions Li+DF/TF→LiF+D/T. Journal of Atomic and Molecular Sciences. 8 (3). 117-121. doi:10.4208/jams.101317.121217a
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