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

键的离子性百分数Percent ionic character

\[\%\text{离子性} = \frac{\mu_\text{实测}}{e\,d}\times100\%,\qquad \%\text{离子性}_\text{鲍林} = \left(1 - e^{-(\Delta\chi)^2/4}\right)\times100\%\]\[\%\text{ionic character} = \frac{\mu_\text{measured}}{e\,d}\times100\%,\qquad \%\text{ionic character}_\text{Pauling} = \left(1 - e^{-(\Delta\chi)^2/4}\right)\times100\%\]

含义Meaning

把实测偶极矩与完全转移一个电子时的偶极矩比较,或由电负性差按鲍林经验式估算。Δχ ≈ 1.7 时约 50%,常作为离子键与共价键的粗略分界。

Compare the measured dipole with that for full electron transfer, or estimate from the electronegativity difference (Pauling). Δχ ≈ 1.7 gives ~50 %, a rough ionic/covalent divide.

符号说明Symbols

符号Symbol含义 Meaning单位 Unit
\(\Delta\chi\)鲍林电负性差Pauling electronegativity difference1
\(d\)键长bond lengthm

推导Derivation

  1. 完全离子:μ = ed;实测值与之比即为“离子性”。

    Fully ionic: μ = ed; the ratio gives ionic character.

  2. 鲍林把卤化氢的离子性与 Δχ 拟合,得到指数形式经验式。

    Pauling fitted hydrogen halides to the exponential form.

适用条件与局限Assumptions & limitations

  • 离子性没有唯一的定义;偶极矩还受极化、孤对影响(如 CO 偶极矩很小且方向“反常”)。

    No unique definition; dipoles include polarisation and lone-pair effects (CO is anomalous).