期刊文献+

同位素效应对Li+HF→LiF+H反应微分散射截面的影响

Isotope Effect on Differential Cross Section for the Li+HF→LiF+H Reaction
下载PDF
导出
摘要 利用准经典轨线方法,研究了反应Li+HF→LiF+H和Li+TF→LiF+T的微分散射截面.结果表明Li+HF反应微分散射截面是很强的前向散射分布,而Li+TF反应微分散射截面呈现出前向和侧向两种优势分布.结合原子核间距随轨线传播时间的演化结果,可得出结论:反应Li+HF→LiF+H主要是直接反应机理,而反应Li+TF→LiF+T是直接与间接两种反应机理. Differential cross sections (DCSs) of the reactions Li + HF → LiF + H and Li + TF → LiF + T have been investigated by employing the quasi - classical trajectory method. It was found that the DCSs dis- play a strongly forward scattering for the Li + HF →LiF + H reaction, but both the forward and sideways scatterings for the Li + TF → LiF + T reaction. Combining results of trajectories propagation along the time, it can be concluded that the Li + HF →LiF + H reaction is the dominantly direct reaction mechanism, while the Li + TF → LiF + T reaction undergoes both the direct and indirect reaction mechanisms.
出处 《济宁学院学报》 2012年第3期20-22,共3页 Journal of Jining University
基金 国家自然科学基金(21003062) 济宁学院青年基金(2009QNKJ02)
关键词 同位素效应 微分散射截面 准经典轨线 isotope effect differential cross section quasi - classical trajectory
  • 相关文献

参考文献10

  • 1BECKER C H, CASAVECCHIA P, TIEDEMANN P W, et al. Study of the Reaction Dynamics of Li + HF, HCl by the Crossed Molecular Beams Method[J]. Journal. of Chemical Physics, 1980, 73(6) :2833 - 2850.
  • 2LOESCH H J, STIENKEMEIER F. Steric Effects in the State Spe- cific ReactionLi + HF (v=1, j=1,m=0) → LiF +H[J]. Journal of Chemical Physics,1993,98(12) :9570 - 9584.
  • 3HOBEL O, BOBBENKAMP R, PALADINI A, et al. Effect of trans- lational energy on the reaction Li + HF (v=0) → LiF + H [J]. Physical Chemistry Chemical Physics,2004,6,2198 - 2204.
  • 4PARKER G A, LAGANA A, CROCCHlANTI S, PACK R T. A De- tailed Three - dimensional Quantum Study of the Li + FH Reaction [J]. Journal of Chemical Physics,1995,102(3) :1238 - 1250.
  • 5AGUADO A, PANIAGUA M, LARA M, RONCERO O. Quantum Study of the Li + HF → LiF + H Reaction[J]. Journal of Chemi- cal Physics, 1997,107 (23) : 10085 - 10095.
  • 6HANK L, HE G Z, LOU N Q. Effect of Location of Energy Barri- er on the Product Alignment of Reaction A + BC [J]. Journal of Chemical Physics,1996,105(19) :8699 - 8704.
  • 7ZHANG X, HAN K L. High - Order Symplectic Integration in Quasi- classical Trajectory Simulation Case Study for O (^1D) + H2 [J]. International Janmal of Quantum Chemistry, 2006,106 : 1815 - 1819.
  • 8YUE X F, ZHANG Y Q, FENG H R, EMILIA L W. Quasi - clas- sical Trajectory Study of the N(2D) + H2→ NH + H and N (2D) + D2→ND + D Reactions: Vector Correlation[J]. Journal of Molecular Structure: THEOCHEM ,2010 ,955 :61 - 65.
  • 9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].Chinese Physics B,2010,19(4):223-228. 被引量:1
  • 10YUE X F, CHENG J, ZHANG H. Quasi - classical Trajectory Study of the Reactions N(2D) with H2, D2, and HD[J]. Jour- nal of Theoretical and Computational Chemistry, 2010,9 ( 5 ) : 919 - 924.

二级参考文献30

  • 1Castillo J F, Bulut N, Bafiares L and Gogtas F 2007 Chem. Phys. 332 119.
  • 2Rao B J and Mahapatra S 2007 J. Chem. Phys. 127 244307.
  • 3Han K L, He G Z and Lou N Q 1996 J. Chem. Phys. 105 8699.
  • 4Zhang X and Han K L 2006 Int. J. Quantun Chem. 106 1815.
  • 5Han K L, Zhang L, Xu D L, He G Z and Lou N Q 2001 J. Phys. Chem. A 105 2956.
  • 6Xu W W, Liu X G, Luan S X, Sun S S and Zhang Q G 2009 Chin. Phys. B 18 339.
  • 7Chen M D, Han K L and Lou N Q 2002 Chem. Phys. 283 463.
  • 8Ma J J, Chen M D, Cong S L and Han K L 2006 Chem. Phys. 327 529.
  • 9Wang M L, Han K L and He G Z 1998 J. Chem. Phys. 109 5446.
  • 10Wang M L, Han K L and He G Z 1998 J. Phys. Chem. A 102 20204.

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部