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从离子极化的一般概念出发,建議了“极化能”的近似計算式(3),並由此发展了一个“非标准型”离子晶体晶格能的計算式(4)。利用(4)式,对202个不同类型的化合物的晶格能进行了計算,和实驗値比較,誤差小于±3％的占72.3％,在±3～5％占12.3％,在±5～10％的占12.9％,大于±10％的占2.5％。在202个化合物中,常见的M~ⅠX_2和M~ⅡY型化合物有135个,仅計它們的計算結果,誤差小于±3％的占84.5％,加上誤差在±3～5％的11.9％共达96.4％,沒有誤差大于±10％的。因此所得結果较为滿意,表明(4)式是一个较好的且较方程应用范圍更广的晶格能計算式。根据所得結果,建議可用(3)式去近似量度离子間相互极化作用的大小,从而可加深对离子极化概念的理解,有助于对化合物性質的进一步研究。
Based on the general concept of ion polarization, an approximation formula (3) for “polarization energy” is proposed, and a formula (4) for calculating the lattice energy of a “non-standard” ionic crystal is developed. The lattice energies of 202 different types of compounds were calculated by using (4). Compared with experiment 値, the error was less than ± 3%, accounting for 72.3%, ± 3 ~ 5%, 12.3% 10% accounted for 12.9%, more than ± 10% accounted for 2.5%. Among the 202 compounds, there are 135 common M ~ IX_2 and M ~ ⅡY compounds, accounting for only 84.5% of the errors with less than ± 3% and 11.9% of the errors with ± 3 ~ 5% A total of 96.4%, no error greater than ± 10%. Therefore, the results obtained are more satisfactory, indicating that (4) is a better and more widely used than the equation lattice energy calculation formula. Based on the results obtained, it is suggested that equation (3) can be used to approximate the magnitude of the mutual polarization between ions, thereby deepening the understanding of the concept of ion polarization and contributing to the further study on the properties of the compounds.