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本文报道了Ln(DBM)_3·H_2O的简正坐标分析结果,计算中采用了单螯合坏近似模型,计算结果和红外、拉曼光谱观测频率符合较好,所得到的一组力常数,具有较好的转移性质.讨论了一些重要谱带的性质。
In this paper, the results of simple coordinate analysis of Ln (DBM) _3 · H_2O are reported. The single-chelation bad approximation model is used in the calculation. The calculated results are in good agreement with the observed frequencies of Raman and Raman spectra. A set of force constants, Has better transfer properties and discusses the properties of some important bands.