无机化学学报

一种电负性新标度：基态自由原子价壳层电子平均吸引能

A NOVEL ELECTRONEGATIVITY χ_CL FOR ELEMENTS AND ORBITALS BASED ON AVERAGE ATTRACTING ENERGY OF VALENCE-SHELL ELECTRONS IN GROUND-STATE FREE ATOMS

作者	单位
曹晨忠	湖南大学化学化工学院药物研究所，长沙 410082 湘潭师范学院化学系，湘潭 411100
李志良	湖南大学化学化工学院药物研究所，长沙 410082
Leland C. Allen	湖南大学化学化工学院药物研究所，长沙 410082 Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009, U.S.A.

摘要: 原子吸引价电子的总能力可由基态自由原子的价电子离子化能(TIE=Σn_iE_i)及其电子亲合能(EA)之和来度量。该和值亦称为总吸引能，记为TAE=Σn_iE_i+EA，此处E_i为基态自由原子价壳层电子的离子化能，Σn_i为与之相关的价壳层电子数，EA则是电子亲合能。所指出的新电负性标度χ_CL与总吸引能TAE除以原子价壳层电子数目Σn_i之值即平均吸引能成正比：χ_CL=0.1813 AAE=0.1813 TAE/Σn_i=0.1813(Σn_iE_i+EA)/Σn_i，进一步从原子总吸引能TAE可确定其价轨道电负性。

关键词: 电负性χ_CL 基态自由电子价壳层电子总吸引能TAE 离子化能电子亲合能原子价轨道电负性

基金项目:

Abstract: The total capability of an atomic attracting valence electrons can be measured by the sum of ionization energies of valence electron in ground-stage free atom and its electron affinity called Total Attracting Energy, TAE=Σn_iE_i+EA, where, E_i is the ionization energy of the ith valence-shell electron in ground-state free atom, n_i is the number of valence-shell electron bearing energy E_i, and EA is the electron affinity. The electronegativity χ_CL is proportional to the average of TAE, AAE, divided by Σn_i, the number of atomic valence-shell electrons. χ_CL=0.1813AAE=0.1813TAE/Σn_i=0.1813(Σn_iE_i +EA)/Σn_i. Further, the atomic valence orbital electronegativity can be also obtained from TAE of an atom.

Keywords: electronegativity χ_CL ground-state free atom total attracting energy ionization energy valence-shell electrons electron affinity atomic valence orbital electronegativity

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曹晨忠,李志良,Leland C. Allen.一种电负性新标度：基态自由原子价壳层电子平均吸引能[J].无机化学学报,1999,15(2):218-224.

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