Vibrational frequencies of the isotopic water molecules; Equilibria with the isotopic hydrogens

Abstract

The fundamental frequencies, anharmonicities, and vibrational modes for the molecules HDO, HTO, DTO, and T2O are calculated on the basis of Dennison's and Darling's recent analysis of the vibrational spectrum of the H2O molecule. The equilibrium constants for nine equilibria involving these molecules are given. Experimental values for the reactions HD + H 2O = H2+HDO and HT+H2O = H2 + HTO are compared with those calculated. It is concluded that the vibrational potential function is essentially unaltered by isotopic substitution.