物理化学学报 >> 1995, Vol. 11 >> Issue (07): 663-666.doi: 10.3866/PKU.WHXB19950720

研究简报 上一篇    下一篇

气相电子衍射和SF6分子中电荷的再分布

金安定,朱小蕾   

  1. 南京师范大学化学系|南京 210097
  • 收稿日期:1994-06-13 修回日期:1994-11-08 发布日期:1995-07-15
  • 通讯作者:

Gas Electron Diffraction and Charge Redistribution in SF6 Molecule

Jin An-Ding,Zhu Xiao-Lei   

  1. Department of Chemistry,Nanjing Normal University,Nanjing 210097
  • Received:1994-06-13 Revised:1994-11-08 Published:1995-07-15
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关键词: 气相电子衍射, SF6, 分子中的电荷分布

Abstract:

Independent atom model (IAM) is generaly used in gaseous electron diffraction (GED) experiment. This means that the effect of the charge redistribution in a molecule is neglected in general case in GED data analysis and the information of the effect could be taken from the residual intensity. In this work, various methods were suggested to calculate the elastic scattering factors for S, F atoms in SF6 molecule (modified IAM or MIAM) and the residual intensity of 40keV electrons scattered by the same molecule. Bonham-type parameter method was selected to achieve good agreement with experimental results and the charge redistribution was determined according to these parameters. Further comparison was made between different methods and their results.

Key words: Gas electron diffraction(GED), SF6, Charge redistribution(in molecules)