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Communication: THz absorption spectrum of the CO2–H2O complex: Observation and assignment of intermolecular van der Waals vibrations
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/content/aip/journal/jcp/140/9/10.1063/1.4867901
2014-03-07
2014-12-27

Abstract

Terahertz absorption spectra have been recorded for the weakly bound CO–HO 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 HO 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 .

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Scitation: Communication: THz absorption spectrum of the CO2–H2O complex: Observation and assignment of intermolecular van der Waals vibrations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/140/9/10.1063/1.4867901
10.1063/1.4867901
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