Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 129, Issue 1, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2944269
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The structure of liquid Cs(FH)(2.3)F was revealed using a combination of high-energy x-ray and neutron diffraction measurements. We found that the strongest intermolecular H-F hydrogen bonds at an average distance of 1.36 A are accompanied by the formation of a high degree of bending of the oligomer chain in the melt, with angle FHF=150 degrees. A reverse Monte Carlo simulation showed that the average number of atoms per chain is 4.4. A detailed chain analysis of the atomic configuration revealed that (FH)(2)F- oligomer chains are the major entities in the liquid, and asymmetrical FHF- are formed owing to the strong H-F hydrogen bonds. The results suggest that an average of one or two HF molecules bond to each of the 11 fluorine atoms surrounding a cesium ion. (C) 2008 American Institute of Physics.
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