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Citation: Yang Sheng-Su, Zhu Qing-Shi. The Inter-bond Coupling of C₂D₂ and C₂H₂ Molecules[J]. Acta Physico-Chimica Sinica, ;1998, 14(07): 601-608. doi: 10.3866/PKU.WHXB19980706 shu

The Inter-bond Coupling of C₂D₂ and C₂H₂ Molecules

1.
Open Laboratory of Bond-Selective Chemistry and the Institute for Advanced Studies,University of Science and Technology of China,Hefei 230026

Received Date: 9 October 1997
Available Online: 15 July 1998

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。
- Local mode model,
- Normal mode model,
- Inter-bond coupling
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沈阳化工大学材料科学与工程学院沈阳 110142

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The Inter-bond Coupling of C2D2 and C2H2 Molecules

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通讯作者: 陈斌, bchen63@163.com

The Inter-bond Coupling of C₂D₂ and C₂H₂ Molecules