Abstract
The anharmonicity correction to the zero-point energy of isotopic ammonias is theoretically evaluated. The G0 term, which is usually ignored, is found to make a significant contribution to this correction. The comparison of the corrections leads to the conclusion that the anharmonicity corrections to the isotopic self-exchange equilibria among the ammonias are negligible. Other correction factors to the self-exchange equilibrium constants calculated in the usual harmonic approximation are also considered and found to be quite negligible. The calculated self-exchange equilibrium constants are compared with experiment and good agreement is found. Agreement is also found between theory and experiment for the isotopic exchange equilibrium constant between ammonia and hydrogen.
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