同位素效应对H+NH→N+H2反应的立体动力学性质的影响?

物理学报

同位素效应对H+NH→N+H2反应的立体动力学性质的影响?

, , , , ,

王茗馨, 王美山, 杨传路, 刘佳, 马晓光, 王立志. 2015: 同位素效应对H+NH→N+H2反应的立体动力学性质的影响?, 物理学报, null(4): 043402. doi: 10.7498/aps.64.043402

引用本文:

王茗馨, 王美山, 杨传路, 刘佳, 马晓光, 王立志. 2015: 同位素效应对H+NH→N+H2反应的立体动力学性质的影响?, 物理学报, null(4): 043402. doi: 10.7498/aps.64.043402

Wang Ming-Xin, Wang Mei-Shan, Yang Chuan-Lu, Liu Jia, Ma Xiao-Guang, Wang Li-Zhi. 2015: Influence of isotopic effect on the stereo dynamics of reaction H+NH→N+H2, Acta Physica Sinica, null(4): 043402. doi: 10.7498/aps.64.043402

Citation:

Wang Ming-Xin, Wang Mei-Shan, Yang Chuan-Lu, Liu Jia, Ma Xiao-Guang, Wang Li-Zhi. 2015: Influence of isotopic effect on the stereo dynamics of reaction H+NH→N+H2, Acta Physica Sinica, null(4): 043402. doi: 10.7498/aps.64.043402

同位素效应对H+NH→N+H2反应的立体动力学性质的影响?

鲁东大学物理与光电工程学院,烟台,264025

Influence of isotopic effect on the stereo dynamics of reaction H+NH→N+H2

摘要: 基于翟红生和韩克利给出的势能面[Zhai H S, Han K L 2011 J. Chem. Phys.135104314],运用准经典轨线方法对H+NH及其同位素取代反应的立体动力学性质进行了理论研究.分别计算并讨论了碰撞能Ec =8和16 kcal/mol时反应的极化微分反应截面、两矢量k-j′相关分布函数P (θr )、三矢量k-k′-j′相关分布函数P (?r)、空间分布函数P (θr,?r).结果表明,对于上述的两个碰撞能,由于同位素取代反应中质量因子的不同,同位素效应对H+NH反应的立体动力学性质的影响很明显.
- 准经典轨线方法 /
- 立体动力学 /
- 矢量相关 /
- 同位素效应
Abstract: The stereodynamics of the H+NH reaction and its isotopic variants are investigated by the quasi-classical trajectory method at the collision energies of 8 kcal/mol and 16 kcal/mol based on the ground state potential energy surface of NH2 reported by Zhai and Han [Zhai H S, Han K L 2011 J. Chem. Phys. 135 104314]. Vector correlations of k-j′and k-k′-j′, such as angular distributions of P (θr), P (?r), P (θr,?r) and the distributions of the polarization-dependent differential cross-sections are discussed in detail. The results indicate that for the two collision energies, the isotopic effect on sterodynamic property of H+NH reaction is apparent which could be attributed to the difference in mass factor in isotopy-susbstituting reaction.

计量

文章访问数: 402
HTML全文浏览数: 201
PDF下载数: 0
施引文献: 0

同位素效应对H+NH→N+H2反应的立体动力学性质的影响?

鲁东大学物理与光电工程学院,烟台,264025

关键词:

摘要: 基于翟红生和韩克利给出的势能面[Zhai H S, Han K L 2011 J. Chem. Phys.135104314],运用准经典轨线方法对H+NH及其同位素取代反应的立体动力学性质进行了理论研究.分别计算并讨论了碰撞能Ec =8和16 kcal/mol时反应的极化微分反应截面、两矢量k-j′相关分布函数P (θr )、三矢量k-k′-j′相关分布函数P (?r)、空间分布函数P (θr,?r).结果表明,对于上述的两个碰撞能,由于同位素取代反应中质量因子的不同,同位素效应对H+NH反应的立体动力学性质的影响很明显.

English Abstract

Influence of isotopic effect on the stereo dynamics of reaction H+NH→N+H2

鲁东大学物理与光电工程学院,烟台,264025

Keywords:

Abstract: The stereodynamics of the H+NH reaction and its isotopic variants are investigated by the quasi-classical trajectory method at the collision energies of 8 kcal/mol and 16 kcal/mol based on the ground state potential energy surface of NH2 reported by Zhai and Han [Zhai H S, Han K L 2011 J. Chem. Phys. 135 104314]. Vector correlations of k-j′and k-k′-j′, such as angular distributions of P (θr), P (?r), P (θr,?r) and the distributions of the polarization-dependent differential cross-sections are discussed in detail. The results indicate that for the two collision energies, the isotopic effect on sterodynamic property of H+NH reaction is apparent which could be attributed to the difference in mass factor in isotopy-susbstituting reaction.

全文HTML

参考文献 (0)

/

下载: 全尺寸图片幻灯片

分享

用微信扫码二维码

分享至好友和朋友圈

返回