Analysis of the Rotational Spectrum of HDO in its v_2 = 0 and 1 Vibrational States up to 2.8 THz

Details Analysis of the Rotational Spectrum of HDO in its v_2 = 0 and 1 Vibrational States up to 2.8 THz Analysis of the Rotational Spectrum of HDO in its v_2 = 0 and 1 Vibrational States up to 2.8 THz

Jun 2011

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confetc04m&link_type=abstract

"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec

Astronomy and Astrophysics

Astrophysics

Microwave

Scientific paper

The rotational and rovibrational spectra of H_2O and its isotopologs, including HDO, are of great importance for atmospheric chemistry, astrophysics, and basic sciences. We recorded rotational spectra of HDO in the ground and first excited bending state from the microwave region up to 2.8 THz. Several spectrometers were employed in Kiel, Köln, and Pasadena. An up-to-date combined analysis with rovibrational data was presented, footnote{S. Brünken, PhD thesis, Universität zu Köln, July 2005, Cuvillier Verlag, Göttingen} in which a Hamiltonian based on Euler functions was used to overcome convergence difficulties of the conventional Watson Hamiltonian. The model had been employed previously, e. g., in a related analysis of D_2O spectra with v_2 ≤ 1. Recently, many more data have been obtained in Köln as well as in Pasadena. Including multiple measurements, these add up to about 230 and 100 new transition frequencies in v_2 = 0 and 1, respectively, reaching J = 17/13 and K_a = 9/5. In addition, a critically evaluated compilation of IR data was published very recently. Difficulties in reproducing the data within experimental uncertainties prompted a reanalysis of the data starting at small quantum numbers and extending the data set in small portions. At lower quantum numbers, difficulties were due to, e. g., few typographical errors and misassignments. At higher quantum numbers, interactions between v_2 = 0 and 1 as well as between these and higher states (e. g. v_2 = 2/v_1 = 1, which interact through Fermi resonance) are more important. The limitation of the present analysis to the lowest two vibrational states affords some transitions to be excluded from the analysis and causes a truncation of the data set at some values of J and K_a.
S. Brünken, PhD thesis, Universität zu Köln, July 2005, Cuvillier Verlag, Göttingen
H. M. Pickett, J. C. Pearson, C. P. Miller, J. Mol. Spectrosc. 233 (2005) 174.
J. Tennyson et al., J. Quant. Spectrosc. Radiat. Transfer 111 (2010) 2160.

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