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

Jonas Andersen, J. Heimdal, Denise Wallin Mahler Andersen, B. Nelander, René Wugt Larsen

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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
Original languageEnglish
Article number091103
JournalJournal of Chemical Physics
Volume140
Issue number9
Number of pages5
ISSN0021-9606
DOIs
Publication statusPublished - 2014

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