Communication: THz absorption spectrum of the CO2-H2O complex: Observation and assignment of intermolecular van der Waals vibrations.

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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.


  • J Andersen
  • Jimmy Heimdal
  • D W Mahler
  • Bengt Nelander
  • R Wugt Larsen
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Natural Sciences
  • Physical Sciences
Original languageEnglish
Article number091103
JournalJournal of Chemical Physics
Issue number9
Publication statusPublished - 2014
Publication categoryResearch

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