Infrared and Raman intensity parameters of sodium acetate and their intensity distributions

The integrated infrared absorption intensities of sodium acetate and its deuterated derivative have been measured. The absorption band shapes were succesfully simulated by using Lorentzian functions with the band areas calculated in terms of the equilibrium atomic charges and their first-order fluxes. The relative Raman intensities were also simulated by using non-cylindrical electro-optical parameters. For a quantitative description of the contribution of each internal symmetry coordinate to the vibrational intensities of a normal mode, new quantities designated the infrared and Raman intensity distributions are defined in analogy with the potential energy distributions conventionally used for describing the contribution to the vibrational frequency.