The structure of liquid iodomethane, CH3I/CD3I

Szilvia Pothoczki, L. Pusztai, Shinji Kohara

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

An x-ray diffraction measurement has been performed on liquid iodomethane using the BL04B2 beamline at the SPring-8 synchrotron radiation facility (Japan). The corrected structure factor, together with the results of an earlier neutron diffraction study, has been interpreted by means of reverse Monte Carlo modelling. This approach provides large structural models, containing thousands of atoms that are consistent with the experimental data within their uncertainties. From these models, partial structure factors and radial distribution functions were calculated. It is demonstrated that, for a satisfactory description of the intermolecular correlations, the presence of x-ray data is vital. Orientational correlations between neighbouring molecules have been found to be much better defined than if they were due to excluded volume effects only.

Original languageEnglish
Article number335204
JournalJournal of Physics Condensed Matter
Volume19
Issue number33
DOIs
Publication statusPublished - Aug 22 2007

Fingerprint

X rays
Springs (water)
Liquids
Neutron diffraction
liquids
Synchrotron radiation
radial distribution
Distribution functions
neutron diffraction
Japan
synchrotron radiation
x ray diffraction
Diffraction
distribution functions
Atoms
Molecules
atoms
molecules
x rays
methyl iodide

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

The structure of liquid iodomethane, CH3I/CD3I. / Pothoczki, Szilvia; Pusztai, L.; Kohara, Shinji.

In: Journal of Physics Condensed Matter, Vol. 19, No. 33, 335204, 22.08.2007.

Research output: Contribution to journalArticle

Pothoczki, Szilvia ; Pusztai, L. ; Kohara, Shinji. / The structure of liquid iodomethane, CH3I/CD3I. In: Journal of Physics Condensed Matter. 2007 ; Vol. 19, No. 33.
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