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Large angular jump mechanism observed for hydrogen bond exchange in aqueous perchlorate solution.
Stockholm University, Faculty of Science, Department of Physics. (Quantum Chemistry)
2010 (English)In: Science (New York, N.Y.), ISSN 1095-9203, Vol. 328, no 5981, 1003-5 p.Article in journal (Refereed) Published
Abstract [en]

The mechanism for hydrogen bond (H-bond) switching in solution has remained subject to debate despite extensive experimental and theoretical studies. We have applied polarization-selective multidimensional vibrational spectroscopy to investigate the H-bond exchange mechanism in aqueous NaClO4 solution. The results show that a water molecule shifts its donated H-bonds between water and perchlorate acceptors by means of large, prompt angular rotation. Using a jump-exchange kinetic model, we extracted an average jump angle of 49 +/- 4 degrees, in qualitative agreement with the jump angle observed in molecular dynamics simulations of the same aqueous NaClO4 solution.

Place, publisher, year, edition, pages
2010. Vol. 328, no 5981, 1003-5 p.
National Category
Chemical Sciences
Research subject
Quantum Chemistry
Identifiers
URN: urn:nbn:se:su:diva-47109DOI: 10.1126/science.1187707ISI: 000277877100034PubMedID: 20489019OAI: oai:DiVA.org:su-47109DiVA: diva2:373030
Funder
Swedish Research Council, 621-2009-3604
Note
authorCount>3Available from: 2010-11-29 Created: 2010-11-29 Last updated: 2011-03-01Bibliographically approved

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