Dependence of trajectories of relative molecular movement on vibrational excitation with O3-N2 line shifts as an example

Abstract

The expression of Ma et al. [J. Mol. Spectrosc. 243, 105–112 (2007)] correcting the equation for vibrational shift of spectral lines in the frame of the semiclassical RB theory with exact trajectories was tested for the O3-N2(O2) molecular system, one of the key molecular systems in the Earth’s atmosphere. Vibration-dependent isotropic interaction potentials were modeled for the ν1 + ν3, 2ν1, 2ν3, ν1, and ν3 bands of both systems. The shift coefficients of O3-N2 lines are compared with the experimental values and theoretical results obtained by a semiempirical approach [Bykov et al., Mol. Phys. 102, 1653–1658 (2004)] for the ν1 + ν3 band as an example.