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Title: The structure of water around the compressibility minimum

Here we present diffraction data that yield the oxygen-oxygen pair distribution function, g{sub OO}(r) over the range 254.2–365.9 K. The running O-O coordination number, which represents the integral of the pair distribution function as a function of radial distance, is found to exhibit an isosbestic point at 3.30(5) Å. The probability of finding an oxygen atom surrounding another oxygen at this distance is therefore shown to be independent of temperature and corresponds to an O-O coordination number of 4.3(2). Moreover, the experimental data also show a continuous transition associated with the second peak position in g{sub OO}(r) concomitant with the compressibility minimum at 319 K.
Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [4] ;  [2] ;  [2]
  1. X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)
  2. (United States)
  3. Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37922 (United States)
  4. Mineral Physics Institute, Stony Brook University, Stony Brook, New York, New York 11794-2100 (United States)
Publication Date:
OSTI Identifier:
22413274
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 21; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; DIFFRACTION; DISTRIBUTION FUNCTIONS; OXYGEN; PEAKS; PROBABILITY; WATER