• B.A. Voronin
  • J. Tennyson
  • S.N. Yurchenko
  • T.Y. Chesnokova
  • A.V. Chentsov
  • A.D. Bykov
  • M.V. Makarova
  • S.S. Voronina
  • F.C. Cruz
A room temperature line list for the H2 15O radioactive isotopologue of the water molecule is computed using the variational nuclear-motion DVR3D program suite and an empirical high-precision potential energy function. The line list consists of rotation-vibrational energies and Einstein-A coefficients, covering a wide spectral range from 0 to 25000 cm−1 and the total angular momenta J up to 30. Estimates of air-broadening coefficients are provided. Experimentally derived energies of H2 16O, H2 17O and H2 18O from the literature are used to provide improved energies for important states with uncertainty estimates for the H2 15O. A number of the wmost promising spectroscopic ranges for the detection of H2 15O are proposed. The calculated absorption spectrum should be useful for the study gaseous radioactive water at IR region, determining concentration, etc. © 2024 The Author(s)
Original languageEnglish
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume311
DOIs
StatePublished - 1 Apr 2024

    Research areas

  • Absorption lines, Energy levels, H2 15O, Line shape parameters, VoTe-15, Water vapor, Absorption spectroscopy, Fourier transform infrared spectroscopy, Infrared absorption, Molecules, Potential energy, Radioactivity, Uncertainty analysis, Water absorption, Energy, Infra-red absorption spectra, Isotopologues, Line lists, Radioactive water, Vote-15, Water vapour, Light absorption, oxygen 15, water, absorption, absorption spectroscopy, article, controlled study, energy, infrared radiation, room temperature, rotation, water vapor, H215O

ID: 117802913