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

Summary, in English

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.

• Författare: J Andersen; Jimmy Heimdal; D W Mahler; Bengt Nelander; R Wugt Larsen
• Avdelning/ar: MAX IV-laboratoriet
• Publiceringsår: 2014
• Språk: Engelska
• Publikation/Tidskrift/Serie: Journal of Chemical Physics
• Volym: 140
• Issue: 9
• Fulltext: - 505 kB; Download statistics
• Länkar: http://dx.doi.org/10.1063/1.4867901
• Dokumenttyp: Artikel i tidskrift
• Förlag: American Institute of Physics (AIP)
• Ämne: Natural Sciences; Physical Sciences
• Status: Published
• ISBN/ISSN/Övrigt: ISSN: 0021-9606