中文摘要：

价电子对互斥（VSEPR）理论一般用于解释ABn型体系的电子结构,尚未见应用VSEPR理论解释单原子分子或离子电子结构的报道。本文应用VSEPR理论,讨论了Ne、F-、O2-、N3-和C4-等单原子分子或离子的外层价电子对分布。并在所得电子结构的基础上,通过＂虚拟反应＂的方法解释了H2O、NH3和CH4的键角变化规律。同时通过相关分子案例讨论了VSEPR理论与杂化轨道理论在解释单原子分子或离子结构方面的关联。

英文摘要：

Generally, the VSEPR theory is used to interpret the electronic structure of ABn compound. However, there is no report on the VSEPR investigation related to mononuelear substance. In this paper, the VSEPR theory is applied to interpret the e- lectronic structure of some mononuelear substance, such as Ne, F, O2-, N3- and C4-. Based on the electronic structure of O2-, N3- and C4- , the bond angle difference of H2O, NH3 and CH4 are further interpreted based on ＂hypothetical reaction＂. The correlation between the VSEPR theory and hybrid orbital theory on the interpretation of mononuclear substance is also discussed in this article.