title: Very strong hydrogen bonds in a bent chain structure of fluorohydrogenate anions in liquid Cs(FH)2.3F.
abstract: 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.
authors.affiliation: Research and Utilization Division, Japan Synchrotron Radiation Research Institute, 1-1-1 Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198, Japan. kohara@spring8.or.jp
authors.forename: Shinji
authors.initials: S
authors.lastname: Kohara
authors.forename: Masaki
authors.initials: M
authors.lastname: Takata
authors.forename: Kazuhiko
authors.initials: K
authors.lastname: Matsumoto
authors.forename: Rika
authors.initials: R
authors.lastname: Hagiwara
authors.forename: Kentaro
authors.initials: K
authors.lastname: Suzuya
authors.forename: Hidetoshi
authors.initials: H
authors.lastname: Morita
authors.forename: Joan E
authors.initials: JE
authors.lastname: Siewenie
authors.forename: Chris J
authors.initials: CJ
authors.lastname: Benmore