Vibrational Energy Levels for Sulfur Dioxide Isotopologues
摘要
Abstract
For five isotopologues of the SO2 molecule: 32S16O2, 34S16O2, 33S16O2, 32S18O2, and 32S16O18O, parameters of the effective vibrational Hamiltonian are derived from fitting to the available experimental data, as well as using 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 obtained vibrational energy levels are compared with the variational calculation, and the quantum numbers for 93 vibrational states are corrected.