MARVEL analysis of high-resolution spectra of ozone (16O3)

Accurate rotation-vibration (ro-vibrational) energy levels of the main isotopologue of ozone ( 16 O 3 ) in its ground electronic X ̃ 1 A 1 state are determined by performing MARVEL (Measured Active Rotation Vibration Energy Levels) analysis on measured line positions from 29 sources of data published in scientific literature. A total of 50276 ro-vibrational transitions are considered yielding 13664 MARVEL energy levels of 16 O 3 with their associated uncertainties. The maximum values of the energy and rotational angular momentum quantum number in the MARVEL dataset are 8167.33 cm −1 and J = 67 respectively. Variational nuclear motion calculations of 16 O 3 energy levels are performed and subsequently used to assess and validate the MARVEL results. Comparisons with alternative data compilations based on effective Hamiltonians are also shown.