Hot water emission spectra

Rotational energy levels of the (000) and (010) states of HD17O

Georg Ch Mellau, Semen N. Mikhailenko, Vladimir G. Tyuterev

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The rotational transitions of the HD17O water isotopologue have been assigned in a high temperature emission spectrum between 320 and 520 cm-1 of water vapor enriched by deuterium and 17O. We assigned 169 emission lines to 189 partly overlapping transitions of pure rotational and the ν22 rotational bands. A new extended set of 390 rotational energy levels for the (000) and (010) vibration states of HD17O up to J = 17 and Ka = 13 was obtained by combination of the new line transitions with those reported in previous studies. We constructed an effective rotational Hamiltonian based on the generation function approach. For this Hamiltonian the deviation between calculated and measured eigenenergies is in the order of 0.001 cm-1. We report a new calculated linelist based on our new energy level list. Our linelist supersedes the IUPAC linelist for the HD17O water isotopologue as it is based on a substantially extended set of accurate transition wavenumbers.

Original languageEnglish
Pages (from-to)6-19
Number of pages14
JournalJournal of Molecular Spectroscopy
Volume308-309
DOIs
Publication statusPublished - 2015

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Hamiltonians
Electron energy levels
emission spectra
energy levels
Water
Deuterium
Steam
water
lists
water vapor
deuterium
deviation
vibration
Temperature

Keywords

  • Emission
  • Far infrared spectroscopy
  • Hdo
  • Rotation-vibration assignment
  • Water molecule

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Hot water emission spectra : Rotational energy levels of the (000) and (010) states of HD17O. / Mellau, Georg Ch; Mikhailenko, Semen N.; Tyuterev, Vladimir G.

In: Journal of Molecular Spectroscopy, Vol. 308-309, 2015, p. 6-19.

Research output: Contribution to journalArticle

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N2 - The rotational transitions of the HD17O water isotopologue have been assigned in a high temperature emission spectrum between 320 and 520 cm-1 of water vapor enriched by deuterium and 17O. We assigned 169 emission lines to 189 partly overlapping transitions of pure rotational and the ν2-ν2 rotational bands. A new extended set of 390 rotational energy levels for the (000) and (010) vibration states of HD17O up to J = 17 and Ka = 13 was obtained by combination of the new line transitions with those reported in previous studies. We constructed an effective rotational Hamiltonian based on the generation function approach. For this Hamiltonian the deviation between calculated and measured eigenenergies is in the order of 0.001 cm-1. We report a new calculated linelist based on our new energy level list. Our linelist supersedes the IUPAC linelist for the HD17O water isotopologue as it is based on a substantially extended set of accurate transition wavenumbers.

AB - The rotational transitions of the HD17O water isotopologue have been assigned in a high temperature emission spectrum between 320 and 520 cm-1 of water vapor enriched by deuterium and 17O. We assigned 169 emission lines to 189 partly overlapping transitions of pure rotational and the ν2-ν2 rotational bands. A new extended set of 390 rotational energy levels for the (000) and (010) vibration states of HD17O up to J = 17 and Ka = 13 was obtained by combination of the new line transitions with those reported in previous studies. We constructed an effective rotational Hamiltonian based on the generation function approach. For this Hamiltonian the deviation between calculated and measured eigenenergies is in the order of 0.001 cm-1. We report a new calculated linelist based on our new energy level list. Our linelist supersedes the IUPAC linelist for the HD17O water isotopologue as it is based on a substantially extended set of accurate transition wavenumbers.

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