Stretching potential and equilibrium length of the OH bond in solids

Correlation has been observed between the experimentally determined harmonic frequencies, ω, and anharmonicity coefficients, X, of OH bond stretching vibrations in alkali halide, oxide, and hydrate crystals. It has been shown that simple second-order perturbation approximation formulas of ω and X can explain the ω–X correlation, and they can be used to obtain the shape of the stretching potential and an estimate of the equilibrium length of an OH bond in crystalline environment.