Journal
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
Volume 271, Issue -, Pages -Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jqsrt.2021.107694
Keywords
Multiphoton spectrum; Potential energy surface; Line list; Deuterated water; HDO
Categories
Funding
- Russian Fund for Basic Research [18-02-00577]
- ERC Advanced Investigator [883830]
- UK Natural Environment Research Council [NE/T000767/1]
- Swiss National Science Foundation [20 0 020_172522]
- [0 030-2021-0 016]
- European Research Council (ERC) [883830] Funding Source: European Research Council (ERC)
- NERC [NE/T000767/1] Funding Source: UKRI
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Multiphoton spectroscopy is used to determine over 210 new energy levels of HDO, which are then used to fit a potential energy surface valid in a specific range. This surface is used to calculate a line list covering infrared, visible, and near-ultraviolet transitions for HDO.
Multiphoton spectroscopy of monodeuterated water is employed to determine more than 210 new energy levels of HDO in the 25 000-35 000 cm(-1) region. These new empirical energy levels are used to fit a potential energy surface (PES) valid between 20 000 cm(-1) and 35 000 cm(-1) . Using this PES and an accurate lower energy PES as starting points, an energy-switching surface is constructed which is capable of reproducing the whole HDO spectrum from 0 to 35 000 cm(-1) . This PES is used to calculate a line list for HDO which covers infra red, visible and near ultraviolet transitions. (C) 2021 Elsevier Ltd. All rights reserved.
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