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化学学报
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化学学报 ›› 2002, Vol. 60 ›› Issue (2): 207-214. 上一篇    下一篇

研究论文

基态原子价壳层电子能级连接性指数与元素的电负性

聂长明;文松年;李忠海;谢水波;王宏青   

  1. 南华大学化学化工学院;中南林学院实验教学中心
  • 发布日期:2002-02-15

The connectivity index of valence shell electron energy levels for ground state atoms and electronegativity of elements

Nie Changming;Wen Songnian;Li Zhonghai;Xie Shuibo;Wang Hongqing   

  • Published:2002-02-15

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1089

被引次数

35 | 10

构建了基态原子价壳层电子能级连接性指数(^mVEI),m=0,1,2,…，它对基态原子实现唯一性表征，其中^0VEI,^1VEI对原子具有良好的结构选择性，以^0VEL,^1VEL，价壳层电子总离子化能(ΣniEi)和总从电子数(Σni)为基本参数，定义了元素的电负性：X~N=0.444067+1.190653(1-1.32775/Σni)(^0VEI)-3.154675(^1VEI)+0.134591.(ΣniEi/Σni)。用上式给出了周期表中主族元素、副族元素及惰性元素的电负性。结果表明，新电负性标度X~N与目前流行的Pauling标度颇为一致。进一步从价轨道能级连接性指数确定了碳原子的sp,sp^2,sp^3杂化轨道的电负性。

关键词: 基态, 碳原子, 杂化轨道, 原子, 离子化能, 价壳层电子, 电子能级, 电负性

A novel connectivity index of valence shell electron energy levels for a ground state atom ^mVEI (m=0, 1, 2, …) is put forward in this paper, which appears uniquely to the ground state atom and has excellent structural selectivity. Regarding ^0VEI, ^1VEI, total ionization energy of valence shell electrons ΣniEi and total valence shell electrons Σni as fundamental parameters, the electronegativity of element can be defined as follows: X~N=0.444067+1.190653(1-1. 32775/Σni)(^0VEI)- 3.154675(^1VEI)+0.134591(ΣniEi/Σni). By above formula the electronegativities of maingroup elements, subgroup elements and inert elements in the Periodic Table are given. The results indicate that the new electronegativity scale X~N is in conformity very much with the Pauling scale which is widely accepted. Moreover, electronegativities of hybridrized orbitals sp, sp^2, sp^3 for carbon atom can be also obtained from the connectivity index of valence orbital energy levels.

Key words: GROUND STATE, CARBON ATOM, HYBRID ORBITAL, ATOM, ELECTRON ENERGY LEVEL, ELECTRONEGATIVITY

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