Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 9, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4867901
Keywords
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Funding
- Danish Council for Independent Research's Sapere Aude Programme [12-125248]
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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 D-0. (C) 2014 AIP Publishing LLC.
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