Theoretical study of the stereodynamics of the reactions of He + H2+/HD+

被引：21

作者：

Xu, Wen Wu ^{[1
]}

Liu, Xin Guo ^{[1
]}

Luan, Shi Xia ^{[1
]}

Zhang, Qing Gang ^{[1
]}

机构：

[1] Shandong Normal Univ, Coll Phys & Elect, Jinan 250014, Peoples R China

来源：

CHEMICAL PHYSICS | 2009年 / 355卷 / 01期

关键词：

Stereodynamics; Quasi-classical trajectory theory; Vector correlation; Polarization-dependent differential cross-section; Isotopic effect; PRODUCT ROTATIONAL POLARIZATION; POTENTIAL-ENERGY SURFACE; ALIGNMENT;

D O I：

10.1016/j.chemphys.2008.07.015

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The vector correlations between products and reagents for the chemical reactions He+ H-2(+)/HD+ have been calculated by means of the quasi-classical trajectory (QCT) method at a collision energy of 1.0 eV on the AQUILANTI surface [P. Palmieri, C. Puzzarini, V. Aquilanti, G. Capecchi, S. Cavalli, D. De Fazio, A. Aguilar, X. Gimenez, J.M. Lucas, Mol. Phys. 98 (2000) 1835]. The isotope effect on dynamical stereochemistry of the title reactions is discussed in detail. The pronounced isotopic effect may be ascribed to the difference of the mass factor in the two reactions. (C) 2008 Published by Elsevier B.V.

引用

下载

页码：21 / 24

页数：4

共 50 条

[1] Isotopic effects on the stereodynamics for the Ne + H2+/Ne + HD+/Ne + HT+ reactions
Jing, Xiao
Yang, Chuan-Lu
Wang, Mei-Shan
Ma, Xiao-Guang
CHEMICAL PHYSICS, 2011, 379 (1-3) : 46 - 50
[2] Stereodynamics study of the reactions of He + H2+ and its isotopic variants
Kong Hao
Liu Xin-Guo
Xu Wen-Wu
Liang Jing-Juan
Zhang Qing-Gang
ACTA PHYSICA SINICA, 2009, 58 (10) : 6926 - 6931
[3] MERGING BEAMS STUDY OF H2+(D,H)HD+ REACTION
WENDELL, KL
ROL, PK
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1973, 18 (03): : 379 - 379
[4] MERGING BEAMS STUDY OF REACTION H2+ (D,H) HD+
WENDELL, KL
ROL, PK
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (05): : 2059 - 2061
[5] H2+ and HD+: Candidates for a molecular clock
Karr, J. -Ph.
JOURNAL OF MOLECULAR SPECTROSCOPY, 2014, 300 : 37 - 43
[6] MERGING BEAMS STUDY OF D+(H2,H)HD+ AND H2+(D,H)HD+ REACTION-MECHANISMS
LEES, AB
ROL, PK
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06): : 2461 - 2465
[7] Theoretical study of the stereodynamics of the He+HD+ reaction
Xu Wen-Wu
Liu Xin-Guo
Luan Shi-Xia
Sun Shan-Shu
Zhang Qing-Gang
CHINESE PHYSICS B, 2009, 18 (01) : 339 - 343
[8] Theoretical study of the stereodynamics of the He+HD~+ reaction
许文武
刘新国
栾仕霞
孙善书
张庆刚
Chinese Physics B, 2009, 18 (01) : 339 - 343
[9] Variational Calculations of the H2+ and HD+ Rovibrational Energies
Bekbaev, Askhat K.
Aznabayev, Damir T.
Korobov, Vladimir, I
PROCEEDINGS OF THE 23RD INTERNATIONAL SCIENTIFIC CONFERENCE OF YOUNG SCIENTISTS AND SPECIALISTS (AYSS-2019), 2019, 2163
[10] Theoretical study of stereodynamics for the reactions Cl+H2/HD/D2
Chen, MD
Han, KL
Lou, NQ
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (10): : 4463 - 4470

← 1 2 3 4 5 →