Acta Phys. -Chim. Sin. ›› 1998, Vol. 14 ›› Issue (07): 601-608.doi: 10.3866/PKU.WHXB19980706

• ARTICLE • Previous Articles     Next Articles

The Inter-bond Coupling of C2D2 and C2H2 Molecules

Yang Sheng-Su, Zhu Qing-Shi   

  1. Open Laboratory of Bond-Selective Chemistry and the Institute for Advanced Studies,University of Science and Technology of China,Hefei 230026
  • Received:1997-10-09 Revised:1998-01-15 Published:1998-07-15
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Abstract:

The local mode model was used to describe the stretching vibration of C-D bonds ofC2D2, while C-C bonds was described in terms of the normal mode model. Hamiltonian was set up and used in non-linear least-squares program to derive the potential parameters. The calculation agree well with observation with a standard deviation of 1.14cm-1.The derived parameters were then used to predict those unexplored stretching vibrational states of C2D2and C2H2。

Key words: Local mode model, Normal mode model, Inter-bond coupling