Abstract
Harmonic intramolecular force fields for the water molecules in CuCl 2 · 2H 2O and CaSO 4 · 2H 2O have been calculated. The calculations are based on earlier infrared data on isotopically dilute H 2O, HDO and D 2O molecules, where anharmonicity corrections have been applied to the observed wavenumbers. A linear relationship between the force constants F r and F rr has been found for symmetric water molecules.
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