Analysis of hot D_2O emission using spectroscopically determined potentials

摘要

Fourier transform emission spectra of D_2O vapor were recorded at a temperature of 1500degC in the wavenumber range 380-1880 cm~(-1).15 346 lines were measured,of which the majority were identified as belonging to D_2O.The spectrum was analyzed using variational nuclear motion calculations based on spectroscopically determined potential-energy surface.Initial assignments were made using a potential surface obtained by fitting a high accuracy ab initio potential.The new assignments were used to refine the potential surface,resulting in additional assignments.A total of 6400 D_2O transitions were assigned and 2144 new D_2O energy levels were obtained.Transitions involving the 4v_2 and 5v_2 bending states,with band origins of 4589.30 (+-0.02) and 5679.6 (+-0.1) cm~(-1),respectively,were assigned for the first time.