Nearest-neighbor oxygen distances in liquid water and ice observed by x-ray Raman based extended x-ray absorption fine structure

被引:106
作者
Bergmann, Uwe
Di Cicco, Andrea
Wernet, Philippe
Principi, Emiliano
Glatzel, Pieter
Nilsson, Anders
机构
[1] Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA
[2] Univ Paris 04, IMPMC, CNRS, IPGP, F-75015 Paris, France
[3] Univ Camerino, CNISM, I-62032 Camerino, Italy
[4] Univ Camerino, CNR INFM SOFT, I-62032 Camerino, Italy
[5] Univ Camerino, Dipartimento Fis, I-62032 Camerino, Italy
[6] BESSY, D-12489 Berlin, Germany
[7] European Synchrotron Radiat Facil, F-38043 Grenoble, France
关键词
D O I
10.1063/1.2784123
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report the nearest-neighbor oxygen-oxygen radial distribution function (NN O-O RDF) of room temperature liquid water and polycrystalline ice Ih (-16.8 degrees C) obtained by x-ray Raman based extended x-ray absorption fine structure (EXAFS) spectroscopy. The spectra of the two systems were taken under identical experimental conditions using the same procedures to obtain the NN O-O RDFs. This protocol ensured a measurement of the relative distance distribution with very small systematic errors. The NN O-O RDF of water is found to be more asymmetric (tail extending to longer distances) with longer average distance (2.81 angstrom for water and 2.76 angstrom for ice) but a slightly shorter peak position (2.70 angstrom for water and 2.71 angstrom for ice). The refinement also showed a small but significant contribution from the linear O-H-O multiple scattering signal. The high sensitivity to short range distances of the EXAFS probe will set further restrictions to the range of possible models of liquid water. (c) 2007 American Institute of Physics.
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页数:5
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