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Citation: Wei Zhang, Li Ma, Shaoai Xie, Yuling Wang, Hongjin Chen. 探讨价层电子对互斥理论的电子对数计算简易方法与应用[J]. University Chemistry, ;2022, 37(6): 210711. doi: 10.3866/PKU.DXHX202107112 shu

探讨价层电子对互斥理论的电子对数计算简易方法与应用

College of Chemistry and Chemical Engineering, Shanghai Jiaotong University, Shanghai 200240, China

Corresponding author: Wei Zhang, weizhang@sjtu.edu.cn
Received Date: 31 July 2021

针对价层电子对互斥理论中关于卤素、氧族等p区非金属元素作为配位原子提供电子数为1、0等未做明确说明的问题，通过数学公式推导解释了数字背后的意义，完善了将中心原子和配位原子按不同计算规则、更简便地计算价层电子对数的方法。应用推导出的简便价层电子对计算规则探讨了一种判断链状结构有机小分子的杂化类型的新方法，并讨论了长周期p区非金属元素的最外层s电子的钻穿作用对价层电子总数的影响以及利用电负性差异比较共价型分子键角大小时需要考虑多重键的影响等，对VSEPR法的应用做了有益补充。
- VSEPR,
- Valence electron pairs,
- Hybrid type,
- Bond angle
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