The solid-state vibrations of magnesium and calcium hydroxides have been studied by normal coordinate analysis. Using a simple short-range force field, the calculated frequencies of normal vibrations are in good agreement with the experimentally observed fundamentals. Some fundamental bands have been estimated by calculations. Hartree-Fock frequency calculations on three model clusters suggest that the correlation field splitting of the hydroxyl group stretching vibrations mainly originates in the interlayer interactions.
magnesium hydroxide; calcium hydroxide; normal coordinate analysis; solid-state vibrations
