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Identification of Free OH and its Implication on Structural Changes of Liquid Water
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0003-0007-0394
2013 (English)In: Chinese Journal of Chemical Physics, ISSN 1674-0068, Vol. 26, no 2, 121-126 p.Article in journal (Refereed) Published
Abstract [en]

The molecular structure of liquid water has been an outstanding issue for many years. The identification of free -OH holds the key in differentiating structure models for liquid water. By analyzing the relative changes of the intensity and depolarization ratio in temperature dependent Raman spectra, the occurrence of free -OH in liquid water is unambiguously determined. Furthermore, upon the increase of temperature from 5 degrees C to 85 degrees C, the structure of liquid water undergoes significant change, but the relative proportion of free -OH is considerably small and remains almost unchanged. This implies that the breaking of hydrogen bond from the tetrahedral structure prefers to occur at the site of the hydrogen acceptor. The energetic favoring of the structural change for liquid water is thus clearly revealed from experiments.

Place, publisher, year, edition, pages
2013. Vol. 26, no 2, 121-126 p.
Keyword [en]
Water, Free -OH, Raman spectrum, Micro-structure
National Category
Physical Sciences Chemical Sciences
URN: urn:nbn:se:kth:diva-123633DOI: 10.1063/1674-0068/26/02/121-126ISI: 000318830400001ScopusID: 2-s2.0-84880735424OAI: diva2:628232

QC 20130613

Available from: 2013-06-13 Created: 2013-06-13 Last updated: 2013-06-13Bibliographically approved

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Luo, Yi
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