物理化学学报 >> 1995, Vol. 11 >> Issue (05): 438-441.doi: 10.3866/PKU.WHXB19950511

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偶极-偶极相互作用的探讨(I)

朱小蕾, 周志华   

  1. 南京师范大学化学系|南京 210024
  • 收稿日期:1994-01-31 修回日期:1994-06-18 发布日期:1995-05-15
  • 通讯作者: 朱小蕾

Investigation on Dipole-dipole Interaction(I)

Zhu Xiao-Lei, Zhou Zhi-Hua   

  1. Department of Chemistry,Nanjing Normal University,Nanjing 210024
  • Received:1994-01-31 Revised:1994-06-18 Published:1995-05-15
  • Contact: Zhu Xiao-Lei

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关键词: 偶极-偶极相互作用, 相关势近似, 强度转移, 频率位移

Abstract:

The coherent potential approximation (CPA) is used in the calculation of the vibrational spectra for absorbed 12CN- /13CN- mixtures on gold. The theoretical results are compared with the surface IR-spectra of 12CN-/13CN- mixture absorbed on rough Au-electrod. The results show that in the systems consisting of isotopic mixtures of CN-on Au(100), molecules interact mainly through their dipole fields.

Key words: Dipole-dipole interaction, CPA, Intensity transfer, Frequeney shift