Vibrational investigations of CO2-H2O, CO2-(H2O)2, and (CO2)2-H2O complexes isolated in solid neon - Sorbonne Université
Journal Articles The Journal of Chemical Physics Year : 2015

Vibrational investigations of CO2-H2O, CO2-(H2O)2, and (CO2)2-H2O complexes isolated in solid neon

Abstract

The van der Waals complex of H 2 O with CO 2 has attracted considerable theoretical interest as a typical example of a weak binding complex with a dissociation energy less than 3 kcal/mol. Up to now, experimental vibrational data are sparse. We have studied by FTIR the complexes involving CO 2 and water molecules in solid neon. Many new absorption bands close to the well known monomers fundamentals give evidence for at least three (CO 2) n-(H 2 O) m complexes, noted n:m. Concentration effects combined with a detailed vibrational analysis allows for the identification of sixteen, twelve and five transitions for the 1:1, 1:2, and 2:1 complexes, respectively. Careful examination of the far infrared spectral region allows the assignment of several 1:1 and 1:2 intermolecular modes, confirmed by the observation of combinations of intra+intermolecular transitions, and anharmonic coupling constants have been derived. Our results demonstrate the high sensibility of the solid neon isolation to investigate the hydrogen-bonded complexes in contrast with the gas phase experiments for which two quanta transitions cannot be easily observed. .
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Dates and versions

hal-03280685 , version 1 (07-07-2021)

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P. Soulard, B. Tremblay. Vibrational investigations of CO2-H2O, CO2-(H2O)2, and (CO2)2-H2O complexes isolated in solid neon. The Journal of Chemical Physics, 2015, 143 (22), pp.224311. ⟨10.1063/1.4936913⟩. ⟨hal-03280685⟩
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