| Literature DB >> 24606346 |
J Andersen1, J Heimdal2, D W Mahler1, B Nelander2, R Wugt Larsen1.
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.Entities:
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Year: 2014 PMID: 24606346 DOI: 10.1063/1.4867901
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488