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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
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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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Keywords:
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Local mode model
, - Normal mode model,
- Inter-bond coupling
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