STRETCHING VIBRATIONS OF BENZENE MOLECULE IN THE NONLINEAR MODEL

A five-parameter nonlinear model is introduced to the description of the stretching vibrational modes of benzene molecule in the electronic ground state, and is applied for the first time to the calculations of energy levels of C-H and C-D stretches of C₆H₆ and C₆D₆ in vapor phase. The results obtained agree well with the experimental vibrational energy levels and with the results obtained from other model calculations. Moreover, our model calculations predict accurately some new overtone and combination bands that have not been studied experimentally.