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  Spectroscopic snapshots of the proton-transfer mechanism in water

Wolke, C. T., Fournier, J. A., Dzugan, L. C., Fagiani, M. R., Odbadrakh, T. T., Knorke, H., et al. (2016). Spectroscopic snapshots of the proton-transfer mechanism in water. Science, 354(6316), 1131-1135. doi:10.1126/science.aaf8425.

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 Creators:
Wolke, Conrad T.1, Author
Fournier, Joseph A.1, 2, Author
Dzugan, Laura C.3, Author
Fagiani, Matias Ruben4, 5, Author              
Odbadrakh, Tuguldur T.6, Author
Knorke, Harald5, Author
Jordan, Kenneth D.6, Author
McCoy, Anne B.3, 7, Author
Asmis, Knut R.5, Author              
Johnson, Mark A.1, Author
Affiliations:
1Department of Chemistry, Yale University, New Haven, CT 06520, USA, ou_persistent22              
2James Frank Institute and Department of Chemistry, University of Chicago, Chicago, IL 60637, USA, ou_persistent22              
3Department of Chemistry and Biochemistry, The Ohio State University, Columbus, OH 43210, USA, ou_persistent22              
4Molecular Physics, Fritz Haber Institute, Max Planck Society, ou_634545              
5Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, ou_persistent22              
6Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15620, USA, ou_persistent22              
7Department of Chemistry, University of Washington, Seattle, WA 98195, USA, ou_persistent22              

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 Abstract: The Grotthuss mechanism explains the anomalously high proton mobility in water as a sequence of proton transfers along a hydrogen-bonded (H-bonded) network. However, the vibrational spectroscopic signatures of this process are masked by the diffuse nature of the key bands in bulk water. Here we report how the much simpler vibrational spectra of cold, composition-selected heavy water clusters, D+(D2O)n, can be exploited to capture clear markers that encode the collective reaction coordinate along the proton-transfer event. By complexing the solvated hydronium “Eigen” cluster [D3O+(D2O)3] with increasingly strong H-bond acceptor molecules (D2, N2, CO, and D2O), we are able to track the frequency of every O-D stretch vibration in the complex as the transferring hydron is incrementally pulled from the central hydronium to a neighboring water molecule.

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 Dates: 2016-04-082016-09-292016-12-022016-12
 Publication Status: Published in print
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1126/science.aaf8425
 Degree: -

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Title: Science
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Association for the Advancement of Science
Pages: 5 Volume / Issue: 354 (6316) Sequence Number: - Start / End Page: 1131 - 1135 Identifier: ISSN: 0036-8075
CoNE: https://pure.mpg.de/cone/journals/resource/991042748276600_1