Use of infra-red and Raman absolute band intensities in force-constant calculations

A parallel treatment for infra-red and Raman absolute band intensities in terms of the derivatives of the dipole moment and polarizability with respect to the normal coordinates is presented, and the introduction of intensity data into force-constant calculations is discussed. A method is given for calculating the rotational corrections to the derivatives of the dipole moment and the polarizability with respect to the symmetry coordinates arising from isotopic substitution.