The vibrational spectra and structure of sodium bromoacetate and sodium bromoacetate-d2

The complete vibrational spectra of crystalline sodium bromoacetate and sodium bromoacetate-d₂ have been recorded and a vibrational assignmem proposed. The intermolecular coupling of these compounds is quite strong and the data are consistent with a centrosymmetric unit cell containing at least four molecules.The product rule calculations support a structure m which the bromine atom is rotated out of the plane of the remaining heavy atoms, but the frequency of the carbon-bromine stretching mode indicates that the degree of rotation is not large.