Vol. 25, issue 08, article # 3
Mishina T. P., Buldyreva J. V., Lavrentieva N. N. The dependence of trajectories of molecular relative movement on vibrational excitation with O3-N2 line shifts as an example. // Optika Atmosfery i Okeana. 2012. V. 25. No. 08. P. 668-672 [in Russian].
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Abstract:
Ма et al. expression [J. Mol. Spectrosc. 243, 105-112 (2007)] for vibrational shift of spectral lines in the frame of the semi classical RB theory with the using approximation of exact trajectories was tested for O3-N2(O2) molecular system. Vibration depended isotropic interaction potentials were modeled for ν1+ ν3, 2ν1, 2ν3, ν1 and ν3 bands of both systems. Calculated shift coefficients of O3-N2 lines have been compared with theoretical results obtained by semi-empirical method [Bykov et al., Mol. Phys. 102, 1653-1658 (2004)] for ν1 + ν3 band.
Keywords:
molecular spectroscopy, line shape, intermolecular interactions, exact trajectories
