Stereodynamics study of reactions N(2D)+HD→NH+D and ND+H

doi:10.1088/1674-1056/19/4/043401

中国物理B ›› 2010, Vol. 19 ›› Issue (4): 43401-043401.doi: 10.1088/1674-1056/19/4/043401

Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H

Emilia L. Wu¹, 岳现房², 程杰², 李宏², 张永强²

(1)Department of Chemical Engineering and Materials Science, 421 Washington Avenue SE, Minneapolis, Minnesota 55455, USA; (2)Department of Physics and Information Engineering, Jining University, Qufu 273155, China

收稿日期:2009-08-11 修回日期:2009-09-28 出版日期:2010-04-15 发布日期:2010-04-15
基金资助:
Project supported by Young Funding of Jining University, China (Grant No.~2009QNKJ02).

Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H

Yue Xian-Fang(岳现房)^a)†, Cheng Jie(程杰)^a), Li Hong(李宏)^a), Zhang Yong-Qiang(张永强)^a), and Emilia L. Wu^b)

^a Department of Physics and Information Engineering, Jining University, Qufu 273155, China; ^bDepartment of Chemical Engineering and Materials Science, 421 Washington Avenue SE, Minneapolis, Minnesota 55455, USA

Received:2009-08-11 Revised:2009-09-28 Online:2010-04-15 Published:2010-04-15
Supported by:
Project supported by Young Funding of Jining University, China (Grant No.~2009QNKJ02).

摘要/Abstract

摘要： The product polarizations of the title reactions are investigated by employing the quasi-classical trajectory (QCT) method. The four generalized polarization-dependent differential cross-sections (PDDCSs) $({2\pi } / \sigma )(\d\sigma _{00} / \d\omega _t )$, $({2\pi } / \sigma )(\d\sigma _{20} / \d\omega _t )$, $({2\pi } / \sigma )(\d\sigma _{22 + } / \d\omega _t )$, and $({2\pi } / \sigma )(\d\sigma _{21 - } / \d\omega _t )$ are calculated in the centre-of-mass frame. The distribution of the angle between ${{\bm k}}$ and ${{\bm j^\prime }}$, $P(\theta _r )$, the distribution of the dihedral angle denoting ${{\bm k}}${--}$\bm k^\prime $--$\bm j^\prime $ correlation, $P(\phi _r )$, as well as the angular distribution of product rotational vectors in the form of polar plots $P(\theta _r ,\phi _r )$ are calculated. The isotope effect is also revealed and primarily attributed to the difference in mass factor between the two title reactions.

Abstract: The product polarizations of the title reactions are investigated by employing the quasi-classical trajectory (QCT) method. The four generalized polarization-dependent differential cross-sections (PDDCSs) $(2\pi/\sigma)({\rm d}\sigma_{00}/{\rm d}\omega_t)$, $(2\pi/\sigma)({\rm d}\sigma_{20}/{\rm d}\omega_t)$, $(2\pi/\sigma)({\rm d}\sigma_{22+}/{\rm d}\omega_t)$, and $(2\pi/\sigma)({\rm d}\sigma_{21-}/{\rm d}\omega_t)$ are calculated in the centre-of-mass frame. The distribution of the angle between $k$ and $j^\prime$, $P(\theta _r)$, the distribution of the dihedral angle denoting $k-k^\prime-j^\prime $ correlation, $P(\phi _r)$, as well as the angular distribution of product rotational vectors in the form of polar plots $P(\theta _r ,\phi _r )$ are calculated. The isotope effect is also revealed and primarily attributed to the difference in mass factor between the two title reactions.

Key words: stereodynamics, quasi-classical trajectory method, vector correlation, polarization-dependent differential cross-section, isotope effect

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

82.30.Cf

82.20.Tr (Kinetic isotope effects including muonium) 82.20.Fd (Collision theories; trajectory models) 82.20.Hf (Product distribution)

岳现房, 程杰, 李宏, 张永强, Emilia L. Wu. Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H[J]. 中国物理B, 2010, 19(4): 43401-043401.

Yue Xian-Fang(岳现房), Cheng Jie(程杰), Li Hong(李宏), Zhang Yong-Qiang(张永强), and Emilia L. Wu . Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H[J]. Chin. Phys. B, 2010, 19(4): 43401-043401.

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Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H

Stereodynamics study of reactions N(²D)+HD→NH+D and ND+H

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