title: Communication: THz absorption spectrum of the CO2-H2O complex: observation and assignment of intermolecular van der Waals vibrations.
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.
authors.affiliation: Department of Chemistry, Technical University of Denmark, Kemitorvet 206, 2800 Kgs. Lyngby, Denmark.
authors.forename: J
authors.initials: J
authors.lastname: Andersen
authors.affiliation: MAX-IV Laboratory, Lund University, P. O. Box 118, 22100 Lund, Sweden.
authors.forename: J
authors.initials: J
authors.lastname: Heimdal
authors.affiliation: Department of Chemistry, Technical University of Denmark, Kemitorvet 206, 2800 Kgs. Lyngby, Denmark.
authors.forename: D W
authors.initials: DW
authors.lastname: Mahler
authors.affiliation: MAX-IV Laboratory, Lund University, P. O. Box 118, 22100 Lund, Sweden.
authors.forename: B
authors.initials: B
authors.lastname: Nelander
authors.affiliation: Department of Chemistry, Technical University of Denmark, Kemitorvet 206, 2800 Kgs. Lyngby, Denmark.
authors.forename: R Wugt
authors.initials: RW
authors.lastname: Larsen
mesh_terms: D002245:Carbon Dioxide / Q000737:chemistry*; D057927:Hydrophobic and Hydrophilic Interactions; D011789:Quantum Theory; D055068:Terahertz Spectroscopy; D014732:Vibration; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water; D002245:Carbon Dioxide