Coriolis Interaction in the ν1 and ν3 Fundamentals of Ozone

Abstract

The v1 and v3 vibration rotation spectrum of 16O3 in the 9.0-μ region has been analyzed. The two vibrational states are coupled through a Coriolis term, iY13Py, and a second-order distortion term, −X13(PxPz+PzPx), in the Hamiltonian. The interaction has been treated by numerically diagonalizing the secular determinant for the two states with the coupling included. The effect of the interaction on the intensities has been considered and absorption contours calculated in satisfactory agreement with experiment. With the distortion parameters fixed to the ground-state values the following constants have been obtained: ν1=1103.157, A1=3.5569, B1=0.44272, C1*=0.39262, ν3=1042.096, A3=3.5004, B3=0.44125, C3*=0.39097, Y13=−0.466, and X13=−0.0098 cm−1. The value of the dipole-moment ratio, (∂Mz∂Q3|0Q3)⧸(∂Mx∂Q1|0Q1),is 10.0±1.5.