The infrared absorption spectrum of radioactive water isotopologue H 2 15 O.

A room temperature line list for the H ₂ ¹⁵ O 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 H ₂ ¹⁶ O, H ₂ ¹⁷ O and H ₂ ¹⁸ O from the literature are used to provide improved energies for important states with uncertainty estimates for the H ₂ ¹⁵ O. A number of the wmost promising spectroscopic ranges for the detection of H ₂ ¹⁵ O are proposed. The calculated absorption spectrum should be useful for the study gaseous radioactive water at IR region, determining concentration, etc.
Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Jonathan Tennyson reports financial support was provided by Natural Environment Research Council. Boris Voronin reports was provided by State of Sao Paulo Research Foundation. If there are other authors they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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