Structural studies of liquid hydrogen fluoride by neutron diffraction I. Liquid df at 293 K

Mohamad Deraman, J. C. Dore, J. G. Powles, J. H. Holloway, P. Chieux

Research output: Contribution to journalArticle

47 Citations (Scopus)

Abstract

Neutron diffraction measurements have been made on liquid DF at 293 K using 0-7 A neutrons. The intramolecular distance rDF was found to be 0-95 Å in satisfactory agreement with accepted values. The intermolecular contribution has been transformed to give the composite pair correlation function dL(r) and exhibits a well-defined hydrogen-bond at a distance of 1-62 Å. The results are compared with four predictions based on computer Åmulation with different models for the intermolecular interaction potential. The experimental results discriminate clearly between the four potentials. They favour the HF3 potential [14] but the very simple HFC potential [16] is also satisfactory.Comparison is also made with diffraction data for the solid and vapour phase measurements on HF and DF. The possible formation of cyclic hexa-mers in the liquid phase is discussed.

Original languageEnglish
Pages (from-to)1351-1367
Number of pages17
JournalMolecular Physics
Volume55
Issue number6
DOIs
Publication statusPublished - 20 Aug 1985
Externally publishedYes

Fingerprint

Neutron Diffraction
Hydrofluoric Acid
liquid hydrogen
hydrofluoric acid
Neutrons
Neutron diffraction
neutron diffraction
Hydrogen
deuterium fluorides
Phase measurement
Liquids
liquids
Hydrogen bonds
Diffraction
Vapors
Composite materials
solid phases
liquid phases
vapor phases
hydrogen bonds

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Molecular Biology
  • Biophysics
  • Condensed Matter Physics

Cite this

Structural studies of liquid hydrogen fluoride by neutron diffraction I. Liquid df at 293 K. / Deraman, Mohamad; Dore, J. C.; Powles, J. G.; Holloway, J. H.; Chieux, P.

In: Molecular Physics, Vol. 55, No. 6, 20.08.1985, p. 1351-1367.

Research output: Contribution to journalArticle

Deraman, Mohamad ; Dore, J. C. ; Powles, J. G. ; Holloway, J. H. ; Chieux, P. / Structural studies of liquid hydrogen fluoride by neutron diffraction I. Liquid df at 293 K. In: Molecular Physics. 1985 ; Vol. 55, No. 6. pp. 1351-1367.
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