Re-analysis of ammonia spectra: Updating the HITRAN 14NH3 database

By M. J. Down, C. Hill, Sergei N. Yurchenko, Jonathan Tennyson, L. Brown, I. Kleiner. 2013

65 citations recorded by the source corpus.

The data incorporated in the HITRAN database for 14NH3 are analyzed using a comprehensive and consistent set of quantum numbers, empirical lower energy levels and the BYTe variationally calculated line list as reference points. Labelings are checked to ensure that they obey both the usual selection rules and the HITRAN labeling formalisms; the problems identified are corrected where possible. Further assignments are brought into question by combination difference (CD) checking of implied upper energy levels. The CD analysis yields an 89% complete 14NH3 energy level list up to 6610 cm−1 and J=21, self-consistent to 0.1 cm−1. In combination with the 1723 previously unassigned and unlabeled lines in HITRAN a total of 2529 problem lines were identified for re-analysis. The compiled energy level list was used to label and assign the set of problem transitions, resulting in a total of 249 new assignments and a further 368 new labelings. Assignment by comparison with the reference line list resulted in 111 further new line assignments and 14 new labelings. Intensities are checked against recent measurements and BYTe. New intensities are proposed for the ν2ν2 band with new intensities and line positions for the 2ν2−ν22ν2−ν2 and new line lists are created for the ν2−ν2ν2−ν2, ν2−ν4ν2−ν4 and ν4−ν4ν4−ν4 bands. BYTe band intensities are analyzed to identify other regions of missing intensity.

Subfields: Atmospheric Science, Global and Planetary Change, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/5a300127e0fc6016ed2d952aa6efa7d01c9323ba

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Citations in the corpus

The 2015 edition of the GEISA spectroscopic database (2016, methodology): “Table 1 Updated molecular species in the GEISA-2015 edition Molecular Species ID Contributors H2O 1 L. Coudert, J. Tennyson, A. Campargue, S. Mikhailenko, O.V. Naumenko, J. Orphal, A. Ruth, R.R. Gamache CO2 2 V.I. Perevalov, S. Tashkun, R.R. Gamache O3 3 A. Barbe, S. Mikhailenko, Vl.G. Tyuterev CH4 ”
The 2009 edition of the GEISA spectroscopic database (2011, methodology): “Table 5 Updated ozone bands (16O3) in the GEISA-09 edition.”
ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K (2014, methodology): “We follow Down et al. (2013) and use the only the absolute values of the vibrational angular momentum quantum numbers Li = ni, ni − 2, . . . , 0(1).”