We report the first infrared spectra of multiply-charged anions in the gas phase. The spectra of SO42-center dot(H2O)(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 SO42- 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. (c) 2006 American Institute of Physics.
Infrared spectroscopy of hydrated sulfate dianions / Zhou, J; Santambrogio, Gabriele; Brummer, M; Moore, Dt; Meijer, G; Neumark, Dm; Asmis, Kr. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 125:11(2006), pp. 111102--4. [10.1063/1.2351675]
Infrared spectroscopy of hydrated sulfate dianions
SANTAMBROGIO, GABRIELE;
2006
Abstract
We report the first infrared spectra of multiply-charged anions in the gas phase. The spectra of SO42-center dot(H2O)(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 SO42- 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. (c) 2006 American Institute of Physics.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
