Dipole moment derivatives and infrared intensities. III. Transferable polar tensors for fluorinated methanes

Abstract

The atomic polar tensors for H and F atoms derived from the experimental values for the integrated infrared molar absorption coefficients for the fundamental vibrations of CH3F are used to predict the intensities of the fundamental vibrations of CF4, CF3H, and CH2F2. These predictions are compared with the values found by experimental measurements. In general, the agreement is quite good (the predicted values agree with the experimental values within a factor of 2, and often are much better), encouraging further investigation of these parameters for prediction of infrared intensities.