Infrared spectroscopy of hydrated sulfate dianions

We report the first infrared spectra of multiply-charged anions in the gas phase. The spectra of SO 4 2 − ∙ ( H 2 O ) n , with n = 3 - 24 , show four main bands assigned to two vibrations of the dianionic core, the water bending mode, and solvent libration. The triply degenerate SO 4 2 − antisymmetr...

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Bibliographic Details
Published in:The Journal of chemical physics 2006-09, Vol.125 (11), p.111102-111102-4
Main Authors: Zhou, Jia, Santambrogio, Gabriele, Brümmer, Mathias, Moore, David T., Wöste, Ludger, Meijer, Gerard, Neumark, Daniel M., Asmis, Knut R.
Format: Article
Language:English
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Summary:We report the first infrared spectra of multiply-charged anions in the gas phase. The spectra of SO 4 2 − ∙ ( H 2 O ) n , with n = 3 - 24 , show four main bands assigned to two vibrations of the dianionic core, the water bending mode, and solvent libration. The triply degenerate SO 4 2 − antisymmetric stretch vibration probes the local solvent symmetry, while the solvent librational band is sensitive to the hydrogen bonding network. The spectra and accompanying electronic structure calculations indicate a highly symmetric structure for the n = 6 cluster and closure of the first solvation shell at n = 12 .
ISSN:0021-9606
1089-7690
DOI:10.1063/1.2351675