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Communication: THz ...
Communication: THz absorption spectrum of the CO2-H2O complex: Observation and assignment of intermolecular van der Waals vibrations.
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Andersen, J (author)
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- Heimdal, Jimmy (author)
- Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory
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Mahler, D W (author)
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- Nelander, Bengt (author)
- Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory
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Wugt Larsen, R (author)
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(creator_code:org_t)
- AIP Publishing, 2014
- 2014
- English.
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In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 140:9
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Abstract
Subject headings
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- Terahertz absorption spectra have been recorded for the weakly bound CO2-H2O complex embedded in cryogenic neon matrices at 2.8 K. The three high-frequency van der Waals vibrational transitions associated with out-of-plane wagging, in-plane rocking, and torsional motion of the isotopic H2O subunit have been assigned and provide crucial observables for benchmark theoretical descriptions of this systems' flat intermolecular potential energy surface. A (semi)-empirical value for the zero-point energy of 273 ± 15 cm(-1) from the class of intermolecular van der Waals vibrations is proposed and the combination with high-level quantum chemical calculations provides a value of 726 ± 15 cm(-1) for the dissociation energy D0.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Publication and Content Type
- art (subject category)
- ref (subject category)
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