物理化学学报 >> 1996, Vol. 12 >> Issue (05): 396-399.doi: 10.3866/PKU.WHXB19960503

研究论文 上一篇    下一篇

Si4+Si3反应动力学:振动激发态对反应的影响

许宗荣,高艳玲   

  1. 四川联合大学西区原子分子科学所,成都 610065
  • 收稿日期:1995-09-11 修回日期:1995-12-06 发布日期:1996-05-15
  • 通讯作者: 许宗荣

Reactive Dynamics for Si4+Si3:Influences of Vibrationally Excited State to Reaction

Xu Zong-Rong,Gao Yan-Ling   

  1. Institute of Atomic and Molecular Sciences,Sichuan Union University,Chengdu 610065
  • Received:1995-09-11 Revised:1995-12-06 Published:1996-05-15
  • Contact: Xu Zong-Rong

摘要:

用准经典轨线方法研究了处于振动激发态的硅原子团簇与硅原子团簇碰撞的反应动力学.计算表明:对于Si4+Si3反应,当反应物团簇处于振动激发态时,有利于生成更小团簇的碎片; 而对生成Si6十Si及Si5+Si2影响不大.

关键词: 硅原子团簇, 团簇反应动力学, 反应截面

Abstract:

 Using the quasiclassical trajectory method, the influences of the vibrationally excited state of reactant cluster in Si4+Si3 have been studied. The reactive cross sections for each channel in reaction Si4+Si3, Si4(n1 =5)+Si3 and Si4+Si3(n1’ =5) have been calculated and the results show that the cluster(s) in the vibrationally excited state(s) is in favor of the deeply inelastic collision. One can control the product channels by means of controling the vibrational excitation of the reactant channel.

Key words: Sin cluster, Clusters reactive dynamics, Reactive cross section