Rotational levels of the (0 0 0) and (0 1 0) states of D216O from hot emission spectra in the 320–860 cm−1 region

Abstract The far-infrared emission spectra of deuterated water vapour were measured at different temperatures (1370, 1520, and 1950 K) in the range 320–860 cm −1 at a resolution of 0.0055 cm −1 . The measurements were performed in an alumina cell with an effective length of hot gas of about 50 cm. More than 1150 new measured lines for the D 2 16 O molecule corresponding to transitions between highly excited rotational levels of the (0 0 0) and (0 1 0) vibrational states are reported. These new lines correspond to rotational states with higher values of the rotational quantum numbers compared to previously published determinations: J max =26 and K a (max) =26 for the (0 0 0) ← (0 0 0) band, J max =25 and K a (max) =25 for the (0 1 0) ← (0 1 0) band, and J max =26 and K a (max) =18 for the (0 1 0) ← (0 0 0) band. The estimated accuracy of the measured line positions is 0.0005 cm −1 . To our knowledge no experimentally measured rotational transitions for D 2 16 O within an excited vibrational state have been available in the literature so far. An extended set of experimental rotational energy levels for (0 0 0) and (0 1 0) vibration states including all previously available data has been determined. For the data reduction we used the generating function model. The root mean square (RMS) deviation between observed and calculated values is 0.0012 cm −1 for 692 rotational levels of the (0 0 0) state and 0.0010 cm −1 for 639 rotational levels of the (0 1 0) vibrational state. A comparison of the observed energy levels with the best available values from the literature and with the global predictions from molecular electronic potential energy surface [J. Chem. Phys. 106 (1997) 4618] for the (0 0 0) and (0 1 0) states is discussed.

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