估算离子晶体晶格能的新方法

A New Method for Estimating the Lattice Energy of Ionic Crystals

在总结前人对离子晶体晶格能研究的基础上,详细分析了离子晶体晶格能的实验数据、发现由同一种正离子(或负离子)与两种不同的负离子(或正离子)组成的离子晶体的西格能之比近似为一常数,由此提出一个估算高子晶体晶格能的新的经验公式U=(γ_+U_+)(γ_-U_-)式中U_+=4.248φ_++4.194z_++9.366;U_-=8.732φ_-+12.83z_--7.724。

On the basis of analysing the lattice energy of ionic crystals, a new emprical formula is obtained to estimate the lattice energy of ionic crystals U=(y_+ U_+)(y_U_) Where U_+=4.248Φ_+ +4.194z_+ +9.366; U__ =8.732Φ__ + 12.83z__7.724. Φ_+=z_+/r_+ and Φ__=z__/r__ are ionic potentials of positive and negative ions, y_+ and y__ are the numbers of positive and negative ions in an ionic crystal.