Analysis of hot D2O emission using spectroscopically determined potentials.
Fourier transform emission spectra of D2O vapor were recorded at a temperature of 1500 degrees C in the wavenumber range 380-1880 cm(-1). 15 346 lines were measured, of which the majority were identified as belonging to D2O. The spectrum was analyzed using variational nuclear motion calculations based on spectroscopically determined potential-energy surfaces. 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 D2O transitions were assigned and 2144 new D2O energy levels were obtained. Transitions involving the 4nu2 and 5nu2 bending states, with band origins of 4589.30 (+/-0.02) and 5679.6 (+/-0.1) cm(-1), respectively, were assigned for the first time.
Shirin
Sergei V
SV
Institute of Applied Physics, Russian Academy of Science, Uljanov Street 46, Nizhnii Novgorod, Russia 603950.
Zobov
Nikolai F
NF
Polyansky
Oleg L
OL
Tennyson
Jonathan
J
Parekunnel
Treana
T
Bernath
Peter F
PF