1. The infrared absorption spectrum of radioactive water isotopologue H215O.
- Author
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Voronin, Boris A., Tennyson, Jonathan, Yurchenko, Sergey N., Chesnokova, Tatyana Yu., Chentsov, Aleksei V., Bykov, Aleksandr D., Makarova, Maria V., Voronina, Svetlana S., and Cruz, Flávio C.
- Subjects
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ABSORPTION spectra , *INFRARED spectra , *ENERGY function , *INFRARED absorption , *ANGULAR momentum (Mechanics) , *POTENTIAL energy , *OXYGEN consumption - Abstract
A room temperature line list for the H 2 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 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 15O. A number of the wmost promising spectroscopic ranges for the detection of H 2 15O are proposed. The calculated absorption spectrum should be useful for the study gaseous radioactive water at IR region, determining concentration, etc. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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