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Percent ionic character calculator

Estimate ionic character from a Pauling electronegativity difference or a measured bond dipole, with inverse calculations.

Calculator

Estimated ionic character
63.2121%
Pauling difference
2.000000

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How this calculator works

The Pauling estimate maps an electronegativity difference to an empirical ionic fraction. The dipole method instead compares a measured bond moment with q times bond length for completely separated charges. These are distinct models and need not agree. Use a single bond moment rather than an entire polyatomic molecule moment. One debye equals 1e-21 divided by the exact speed of light in C m. One angstrom equals 1e-10 m.

Formula

Ionic fraction = 1 - exp(-difference squared / 4). Dipole fraction = measured moment / (q r), with consistent units.

Worked example

A Pauling difference of 2 gives fraction 1 - exp(-1) = 63.2121%. Equal electronegativities give 0%. A fully separated elementary charge at 1 angstrom gives about 4.8032 D.

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Frequently asked questions

Are both estimates exact?

No. The Pauling expression is empirical and the dipole ratio uses an ideal separated-charge model.

Can 100% give a finite Pauling difference?

No. That inverse tends to infinity, so the inverse mode requires a value below 100%.

Why does a zero molecular moment not prove covalent bonds?

Oppositely directed bond dipoles can cancel in a symmetric molecule.

Sources

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