Jump to main content
Jump to site search

Issue 9, 2016
Previous Article Next Article

Intramolecular structure and energetics in supercooled water down to 255 K

Author affiliations

Abstract

We studied the structure and energetics of supercooled water by means of X-ray Raman and Compton scattering. Under supercooled conditions down to 255 K, the oxygen K-edge measured by X-ray Raman scattering suggests an increase of tetrahedral order similar to the conventional temperature effect observed in non-supercooled water. Compton profile differences indicate contributions beyond the theoretically predicted temperature effect and provide a deeper insight into local structural changes. These contributions suggest a decrease of the electron mean kinetic energy by 3.3 ± 0.7 kJ (mol K)−1 that cannot be modeled within established water models. Our surprising results emphasize the need for water models that capture in detail the intramolecular structural changes and quantum effects to explain this complex liquid.

Graphical abstract: Intramolecular structure and energetics in supercooled water down to 255 K

Back to tab navigation

Publication details

The article was received on 14 Dec 2015, accepted on 05 Feb 2016 and first published on 05 Feb 2016


Article type: Paper
DOI: 10.1039/C5CP07721D
Citation: Phys. Chem. Chem. Phys., 2016,18, 6925-6930
  • Open access: Creative Commons BY license
  •   Request permissions

    Intramolecular structure and energetics in supercooled water down to 255 K

    F. Lehmkühler, Y. Forov, T. Büning, C. J. Sahle, I. Steinke, K. Julius, T. Buslaps, M. Tolan, M. Hakala and C. Sternemann, Phys. Chem. Chem. Phys., 2016, 18, 6925
    DOI: 10.1039/C5CP07721D

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements