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  Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism

Richardson, J. O., Pérez, C., Lobsiger, S., Reid, A. A., Temelso, B., Shields, G. C., et al. (2016). Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism. Science, 351(6279), 1310-1313. doi:10.1126/science.aae0012.

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http://dx.doi.org/10.1126/science.aae0012 (Verlagsversion)
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 Urheber:
Richardson, Jeremy O.1, 2, Autor
Pérez, Cristóbal3, 4, Autor           
Lobsiger, Simon3, Autor
Reid, Adam A.1, Autor
Temelso, Berhane5, Autor
Shields, George C.5, Autor
Kisiel, Zbigniew6, Autor
Wales, David J.1, Autor
Pate, Brooks H.3, Autor
Althorpe, Stuart C.1, Autor
Affiliations:
1Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK, ou_persistent22              
2Department of Chemistry, Durham University, South Road Durham DH1 3LE, UK, ou_persistent22              
3Department of Chemistry, University of Virginia, McCormick Road, Charlottesville, VA 22903, USA, ou_persistent22              
4Structure and Dynamics of Cold and Controlled Molecules, Independent Research Groups, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_1938292              
5Dean’s Office, College of Arts and Sciences, and Department of Chemistry, Bucknell University, Lewisburg, PA 17837, USA, ou_persistent22              
6Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, 02-668 Warszawa, Poland, ou_persistent22              

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 Zusammenfassung: The nature of the intermolecular forces between water molecules is the same in small hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give insight into the intermolecular forces present in liquid water and ice. The water hexamer is the smallest water cluster to support low-energy structures with branched three-dimensional hydrogen-bond networks, rather than cyclic two-dimensional topologies. Here we report measurements of splitting patterns in rotational transitions of the water hexamer prism, and we used quantum simulations to show that they result from geared and antigeared rotations of a pair of water molecules. Unlike previously reported tunneling motions in water clusters, the geared motion involves the concerted breaking of two hydrogen bonds. Similar types of motion may be feasible in interfacial and confined water.

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Sprache(n): eng - English
 Datum: 2015-12-062016-02-022016-03-182016-03-18
 Publikationsstatus: Erschienen
 Seiten: 4
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1126/science.aae0012
 Art des Abschluß: -

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Titel: Science
Genre der Quelle: Zeitschrift
 Urheber:
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Ort, Verlag, Ausgabe: Washington, D.C. : American Association for the Advancement of Science
Seiten: - Band / Heft: 351 (6279) Artikelnummer: - Start- / Endseite: 1310 - 1313 Identifikator: ISSN: 0036-8075
CoNE: https://pure.mpg.de/cone/journals/resource/991042748276600_1