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Title: Electron distribution in water

Abstract

The x-ray structure factor of water measured under ambient conditions with synchrotron radiation is compared with those predicted on the basis of partial structure factors describing the nuclear positions obtained by neutron diffraction and of different assumptions for the electron distribution. The comparison indicates that a charge of approximately 0.5 e is transferred from each hydrogen atom to the oxygen on the same molecule, implying an effective dipole moment of 2.9 D, in good agreement with theoretical estimates. (c) 2000 American Institute of Physics.

Authors:
 [1];  [1];  [1];  [1];  [1];  [2]
  1. Argonne National Laboratory, Argonne, Illinois 60439 (United States)
  2. Rutherford-Appleton Laboratory, Chilton, Oxon OX11 0QX, (United Kingdom)
Publication Date:
OSTI Identifier:
20216524
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 112; Journal Issue: 21; Other Information: PBD: 1 Jun 2000; Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; WATER; ELECTRON DENSITY; STRUCTURE FACTORS; SYNCHROTRON RADIATION; DIPOLE MOMENTS; X-RAY DIFFRACTION; ADVANCED PHOTON SOURCE; EXPERIMENTAL DATA

Citation Formats

Badyal, Y. S., Saboungi, M.-L., Price, D. L., Shastri, S. D., Haeffner, D. R., and Soper, A. K. Electron distribution in water. United States: N. p., 2000. Web. doi:10.1063/1.481541.
Badyal, Y. S., Saboungi, M.-L., Price, D. L., Shastri, S. D., Haeffner, D. R., & Soper, A. K. Electron distribution in water. United States. doi:10.1063/1.481541.
Badyal, Y. S., Saboungi, M.-L., Price, D. L., Shastri, S. D., Haeffner, D. R., and Soper, A. K. Thu . "Electron distribution in water". United States. doi:10.1063/1.481541.
@article{osti_20216524,
title = {Electron distribution in water},
author = {Badyal, Y. S. and Saboungi, M.-L. and Price, D. L. and Shastri, S. D. and Haeffner, D. R. and Soper, A. K.},
abstractNote = {The x-ray structure factor of water measured under ambient conditions with synchrotron radiation is compared with those predicted on the basis of partial structure factors describing the nuclear positions obtained by neutron diffraction and of different assumptions for the electron distribution. The comparison indicates that a charge of approximately 0.5 e is transferred from each hydrogen atom to the oxygen on the same molecule, implying an effective dipole moment of 2.9 D, in good agreement with theoretical estimates. (c) 2000 American Institute of Physics.},
doi = {10.1063/1.481541},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 21,
volume = 112,
place = {United States},
year = {2000},
month = {6}
}