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  • Andersen, J, et al. (author)
  • Communication: THz absorption spectrum of the CO2-H2O complex: Observation and assignment of intermolecular van der Waals vibrations.
  • 2014
  • In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 140:9
  • Journal article (peer-reviewed)abstract
    • 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.
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Andersen, J. (1)
Heimdal, Jimmy (1)
Mahler, D W (1)
Nelander, Bengt (1)
Wugt Larsen, R (1)
University
Lund University (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
2014 (1)

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