摘要
通过对量子化学中原子模型的松紧规律的分析,以及归纳了周期表中各元素的硫族化合物玻璃(硫系玻璃)的形成能力后,证实这两者存在相关性:原子核对价电子束缚编紧的元素形成硫系玻璃能力大;反之,则形成能力差.根据现代玻璃結构概念和运用量子化学原理对这种相关性作了进一步分析。对玻璃系统中孤对电子在形成玻璃中的作用和化学环境与孤对电子的相互作用进行研究后,首次提出了根据系统中孤对电子数量判断玻璃形成能力的原则。
By considering the loosen-tighten law of atomic model in the quantum chemistry and by summarizing the chalcogenide glass-forming ability of elements in the periodic table, the relationship between these two factors is revealed. The more tightly the atomic nucleus of elements attracts the valence electrons, the better the chalcogenide glass-forming ability$ on the contrary, the poorer the latter. Based on the modern concept of glass structure and the principles of quantum chemistry, this relationship has been further analysed. By studying the role of the lone pair electrons in glass formation, and the interaction of the chemical environment and the lone pair electrons, a new principle of the chalcogenide glass-forming ability judged by the lone pair electrons is first predicated.
关键词
硫系
玻璃
原子模型
松紧
规律
loosen-tighten law of atomic model
chalcogenide glass-forming ability
