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＝ΣｎｉＥｉ）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＝ΣｎｉＥｉ＋ＥＡ，此处Ｅｉ为基态自由原子价壳层电子的离子化能，Σｎｉ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χＣＬ与总吸引能ＴＡＥ除以原子价壳层电子数目Σｎｉ之值即平均吸引能成正比：χＣＬ＝０．１８１３ＡＡＥ＝０．１８１３ＴＡＥ／Σｎｉ＝０．１８１３（ΣｎｉＥｉ＋ＥＡ）／Σｎｉ，进一步从原子总吸引能ＴＡＥ可确定其价轨道电负性。
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=Σ n iE i +EA, where, E i is the ionization energy of the i th 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 Σ n i , the number of atomic valence shell electrons. χ CL =0.1813AAE=0.1813TAE/Σ n i =0.1813(Σ n iE i +EA)/Σ n i . Further, the atomic valence orbital electronegativity can be also obtained from TAE of an atom.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
1999年第2期218-224,共7页
Chinese Journal of Inorganic Chemistry
基金
国家教委及机械部跨世纪优秀学术带头人专项基金
关键词
电负性
基态自由电子
价壳层电子
电子亲合能
electronegativity χ CL \ \ \ ground state free atom\ \ \ total attracting energy ionization energy\ \ \ \ valence shell electrons\ \ \ electron affinity atomic valence orbital electronegativity
