Vibrational energy levels for sulfur dioxide isotopologues
K.K. Sharybkina, O.V. Naumenko
V.E. Zuev Institute of Atmospheric Optics of Siberian Branch of the Russian Academy of Science, Tomsk, Russia
Keywords: sulfur dioxide, SO2, effective Hamiltonian, vibrational energy, isotopologue
Abstract
For five isotopologues of the SO2 molecule: 32S16O2, 34S16O2,33S16O2, 32S18O2, 32S16O18O, parameters of the effective vibrational Hamiltonian are derived from fitting to the available experimental data and with the use of the basic relations of the isotope substitution theory. Vibrational constants obtained from the fit reproduce the experimental vibrational energy levels within 0.025 cm-1 for symmetric isotopologues. The found vibrational energy levels are compared with the variational calculation data, and the quantum numbers for 93 vibrational states are corrected.
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