引用本文:
杨生福, 朱清时. C2D2和C2H2分子键-键耦合研究[J]. 物理化学学报,
1998, 14(07): 601-608.
doi:
10.3866/PKU.WHXB19980706
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
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
C2D2和C2H2分子键-键耦合研究
English
The Inter-bond Coupling of C2D2 and C2H2 Molecules
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。
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Key words:
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Local mode model
- / Normal mode model
- / Inter-bond coupling
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