摘要
我们在考虑了晶体中近邻正、负离子的共价行为的基础上,提出了晶体点阵能的计算公式,并引进了离子有效价态的概念和共价能计算的经验表达式,把二元离子晶体点阵能的计算推广到一般极性共价晶体和其他复杂晶体,计算结果与实验结果符合得很好.
In this paper, based on the consideration of covalent behavior of adjacent ions in crystals, a calculation formula of lattice energy was proposed. In which, the concept of ionic effective valence and the empirical formula covalent energy were introduced, so that the calculation of littice energy can be extended from binary ionic crystals to polar covalent crystals and complex crystals.The calculation results are in agreement with the experimental observations.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1994年第4期320-324,共5页
Acta Chimica Sinica
基金
国家自然科学基金
中国科学院长春应用化学研究所稀土化学
物理开放实验室资助的项目
