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Permanent URL to this publication: http://dx.doi.org/10.5167/uzh-36737

Garrett-Roe, S; Hamm, P (2010). The OH stretch vibration of liquid water reveals hydrogen-bond clusters. Physical Chemistry Chemical Physics (PCCP), 12(37):11263-11266.

Accepted Version


Using molecular dynamics simulations, we investigate the fluctuations of the hydrogen-bond network in liquid water and its relation to vibrational spectroscopy. We show that the high-frequency shoulder, which is most evidently found in Raman spectra of the OH stretch vibration of isotope diluted water, is (at least to a certain extent) related to a three-fold hydrogen-bonded ring. This suggests that it is not always sufficient to classify individual water molecules when studying some aspects of hydrogen-bond dynamics, rather, one should consider the topology of the local structure around a given water molecule.

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
DDC:540 Chemistry
Deposited On:16 Dec 2010 16:03
Last Modified:05 Jun 2014 13:49
Publisher:Royal Society of Chemistry
Funders:Swiss National Science Foundation, National Science Foundation (USA)
Publisher DOI:10.1039/c004579a
PubMed ID:20676415
Citations:Web of Science®. Times Cited: 4
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Scopus®. Citation Count: 4

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