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

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.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-4E39-0 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0024-B86D-D
Genre: Journal Article

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 Creators:
Yacovitch, Tara I.1, Author
Heine, Nadja2, Author           
Brieger, Claudia2, Author           
Wende, Torsten2, Author           
Hock, Christian1, Author
Neumark, Daniel M.1, 3, Author
Asmis, Knut R.2, Author           
Affiliations:
1Department of Chemistry, University of California, Berkeley, California 94720, United States , ou_persistent22              
2Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
3Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States , ou_persistent22              

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 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”.

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Language(s): eng - English
 Dates: 2013-05-072013-01-052013-05-292013-05-292013-08-15
 Publication Status: Issued
 Pages: 10
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/jp400154v
 Degree: -

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Title: The Journal of Physical Chemistry A
  Other : J. Phys. Chem. A
Source Genre: Journal
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Publ. Info: Columbus, OH : American Chemical Society
Pages: - Volume / Issue: 117 (32) Sequence Number: - Start / End Page: 7081 - 7090 Identifier: ISSN: 1089-5639
CoNE: https://pure.mpg.de/cone/journals/resource/954926947766_4