论文部分内容阅读
本文报道了La(15-C-5)(No_3)_3和La(18-C-6)(NO_3)_3的正则坐标分析计算,计算中使用了等效质点模型,并忽略了一些影响不大的内坐标。计算结果和红外及拉曼光谱的频率及强度符合较好。在计算中对于这两个分子使用了相同的力常数。最后讨论了配位键的性质、近似计算方法等问题。
This paper reports the regular coordinate analysis and calculation of La (15-C-5) (No_3) _3 and La (18_C_6) (NO_3) _3. The equivalent particle model is used in the calculation, Inner coordinates. The calculated results are in good agreement with the frequency and intensity of infrared and Raman spectra. The same force constant is used for both molecules in the calculation. Finally, the nature of the coordination keys, approximate calculation methods and other issues are discussed.