双语化学辞典Chem Lexicon
本科Undergraduate 化学键与分子结构 Chemical bonding & molecular structure

阿莱–罗乔电负性Allred–Rochow electronegativity

\[\chi_\mathrm{AR} = 0.744 + 0.359\,\frac{Z_\text{eff}}{(r_\text{cov}/\text{Å})^2}\]

含义Meaning

把电负性看作原子核对共价半径处价电子的静电吸引力(1958),用斯莱特有效核电荷计算,可得到所有元素的值并与鲍林标度一致。

Electronegativity as the electrostatic pull of the nucleus on an electron at the covalent radius (1958), using Slater’s effective charge; scaled to match Pauling.

符号说明Symbols

符号Symbol含义 Meaning单位 Unit
\(Z_\text{eff}\)斯莱特有效核电荷Slater effective nuclear charge1
\(r_\text{cov}\)共价半径covalent radiusÅ

推导Derivation

  1. 作用力 \(F = Z_\text{eff}e^2/(4\pi\varepsilon_0r^2)\)。

    Force \(F = Z_\text{eff}e^2/(4\pi\varepsilon_0r^2)\).

  2. 线性拟合到鲍林值得到系数 0.359 与截距 0.744。

    Fit linearly to Pauling values.

适用条件与局限Assumptions & limitations

  • 依赖斯莱特规则和共价半径的取值。

    Depends on Slater rules and chosen radii.

例题Worked example

Cl:Z_eff = 6.10,r = 0.99 Å → χ = 0.744 + 0.359×6.10/0.98 = 2.98(鲍林 3.16)。

Cl: χ = 2.98 (Pauling 3.16).