Gas-Phase Infrared Spectrum of the Protonated Water Dimer | Zendy

Knut R. Asmis | Zendy; Nicholas L. Pivonka | Zendy; Gabriele Santambrogio | Zendy; Mathias Brümmer | Zendy; Cristina Kaposta | Zendy; Daniel M. Neumark | Zendy; L. Wöste | Zendy

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Gas-Phase Infrared Spectrum of the Protonated Water Dimer

Author(s) -

Knut R. Asmis,

Nicholas L. Pivonka,

Gabriele Santambrogio,

Mathias Brümmer,

Cristina Kaposta,

Daniel M. Neumark,

L. Wöste

Publication year - 2003

Publication title -

science

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 12.556

H-Index - 1186

eISSN - 1095-9203

pISSN - 0036-8075

DOI - 10.1126/science.1081634

Subject(s) - photodissociation , water dimer , protonation , dimer , infrared , chemistry , proton , ion , aqueous solution , infrared spectroscopy , moiety , phase (matter) , photochemistry , analytical chemistry (journal) , molecular physics , molecule , stereochemistry , hydrogen bond , physics , optics , organic chemistry , quantum mechanics , chromatography

The protonated water dimer is a prototypical system for the study of proton transfer in aqueous solution. We report infrared photodissociation spectra of cooled H+(H2O)2 [and D+(D2O2] ions, measured between 620 and 1900 wave numbers (cm-1). The experiment directly probes the shared proton region of the potential energy surface and reveals three strong bands below 1600 cm-1 and one at 1740 cm-1 (for H5O2+). From a comparison to multidimensional quantum calculations, the three lower energy bands were assigned to stretching and bending fundamentals involving the O...H+...O moiety, and the highest energy band was assigned to a terminal water bend. These results highlight the importance of intermode coupling in shared proton systems.

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