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Vibrational spectroscopy of bisulfate/sulfuric acid/water clusters: Structure, stability, and infrared multiple-photon dissociation intensities

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Heine,  Nadja
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Brieger,  Claudia
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Wende,  Torsten
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Asmis,  Knut R.
Molecular Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Yacovitch, T. I., Heine, N., Brieger, C., Wende, T., Hock, C., Neumark, D. M., et al. (2013). Vibrational spectroscopy of bisulfate/sulfuric acid/water clusters: Structure, stability, and infrared multiple-photon dissociation intensities. The Journal of Physical Chemistry A, 117(32), 7081-7090. doi:10.1021/jp400154v.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0014-4E39-0
Abstract
The structure and stability of mass-selected bisulfate, sulfuric acid, and water cluster anions, HSO4-(H2SO4)m(H2O)n, are studied by infrared photodissociation spectroscopy aided by electronic structure calculations. The triply hydrogen-bound HSO4-(H2SO4) configuration appears as a recurring motif in the bare clusters, while incorporation of water disrupts this stable motif for clusters with m > 1. Infrared-active vibrations predominantly involving distortions of the hydrogen-bound network are notably missing from the infrared multiple-photon dissociation (IRMPD) spectra of these ions but are fully recovered by messenger-tagging the clusters with H2. A simple model is used to explain the observed “IRMPD transparency”.