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  Mid- and Far-IR spectra of H5+ and D5+ compared to the predictions of anharmonic theory

Cheng, T. C., Jiang, L., Asmis, K. R., Wang, Y., Bowman, J. M., Ricks, A. M., et al. (2012). Mid- and Far-IR spectra of H5+ and D5+ compared to the predictions of anharmonic theory. The Journal of Physical Chemistry Letters, 3(21), 3160-3166. doi:10.1021/jz301276f.

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H5+ Far IR R1.pdf (Any fulltext), 341KB
 
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 Creators:
Cheng, Timothy C. 1, Author
Jiang, Ling2, Author           
Asmis, Knut R.2, Author           
Wang, Yimin3, Author
Bowman, Joel M.3, Author
Ricks, Allen M.1, Author
Duncan, Michael A.1, Author
Affiliations:
1Department of Chemistry, University of Georgia, Athens, Georgia 30602, United States, ou_persistent22              
2Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
3Department of Chemistry, Emory University, Atlanta, Georgia 30332, United States, ou_persistent22              

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 Abstract: H5+ is the smallest proton-bound dimer. As such, its potential energy surface and spectroscopy are highly complex, with extreme anharmonicity and vibrational state mixing; this system provides an important benchmark for modern theoretical methods. Unfortunately, previous measurements covered only the higher-frequency region of the infrared spectrum. Here, spectra for H5+ and D5+ are extended to the mid- and far-IR, where the fundamental of the proton stretch and its combinations with other low-frequency vibrations are expected. Ions in a supersonic molecular beam are mass-selected and studied with multiple-photon dissociation spectroscopy using the FELIX free electron laser. A transition at 379 cm-1 is assigned tentatively to the fundamental of the proton stretch of H5+ , and bands throughout the 300−2200 cm-1 region are assigned to combinations of this mode with bending and torsional vibrations. Coupled vibrational calculations, using ab initio potential and dipole moment surfaces, account for the highly anharmonic nature of these complexes.

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Language(s): eng - English
 Dates: 2012-08-272012-10-152012-10-152012-11-01
 Publication Status: Issued
 Pages: 7
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/jz301276f
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Title: The Journal of Physical Chemistry Letters
  Abbreviation : JPCLett
Source Genre: Journal
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Publ. Info: Washington, DC : American Chemical Society
Pages: - Volume / Issue: 3 (21) Sequence Number: - Start / End Page: 3160 - 3166 Identifier: CoNE: https://pure.mpg.de/cone/journals/resource/1948-7185