Third-order theory of the line intensities in the allowed and forbidden vibrational-rotational bands of C3v molecules |
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| Institution: | 1. Institute of Spectroscopy, Soviet Academy of Sciences, Moscow, Troick, USSR;2. The J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 160 00 Prague 6, Flemingovo n.2, Czechoslovakia;1. Sackler Laboratory for Astrophysics, Leiden Observatory, Leiden University, PO Box 9513, NL 2300 RA Leiden, The Netherlands;2. Hefei National Laboratory for Physical Sciences at the Microscale, Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, PR China |
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| Abstract: | A third-order theory of the intensities of the allowed and “forbidden” (perturbation-allowed) transitions to the fundamental vibrational levels of C3v semirigid molecules has been worked out by using the method of contact transformations applied to the electric dipole moment operator. Explicit expressions have been obtained for the linestrengths of the allowed (Δk = 0, ±1) as well as forbidden (Δk = ±2, ±3, ±4) transitions from the ground vibronic state to the fundamental vibrational levels of C3v molecules. The treatment takes into account all the important Coriolis and anharmonic interactions in a C3v molecule, including the effect of the “2, 2” and “2, −1” l-type interactions and the Δk = ±3 interactions on the intensities of the allowed and forbidden vibrational-rotational transitions. The expressions for the linestrengths of the allowed and forbidden transitions are given here in a form suitable to fit the experimental data on the intensities in the vibrational-rotational spectra of C3v molecules. |
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