The structure of liquid CCl4

L. Pusztai, R. L. Mcgreevy

Research output: Contribution to journalArticle

46 Citations (Scopus)

Abstract

The structure factor of liquid carbon tetrachloride has been measured up to Q = 10Å-1 at ambient temperature using the SLAD diffractometer at NFL Studsvik. The results, which are comparable with previous measurements, have been modelled by the reverse Monte Carlo method. Constraints on the CCl coordination (fourfold) and nearest neighbour distance have been applied in order to define the molecules within the model. An analysis of the particle configurations obtained, that are fully consistent with the experimental structure factor, shows no evidence for the close interlock between neighbouring molecules which has been widely accepted so far. This interlock would require the average ClCl coordination to be 6, whereas it appears to be less than 4. Our model suggests that the dominant intermolecular connection is of the corner-to-corner type, and not of the corner-to-face type.

Original languageEnglish
Pages (from-to)533-539
Number of pages7
JournalMolecular Physics
Volume90
Issue number4
Publication statusPublished - Mar 1997

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Monte Carlo Method
Carbon Tetrachloride
Molecules
Temperature
Diffractometers
Liquids
liquids
Monte Carlo methods
carbon tetrachloride
diffractometers
ambient temperature
Monte Carlo method
molecules
configurations

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Pusztai, L., & Mcgreevy, R. L. (1997). The structure of liquid CCl4 Molecular Physics, 90(4), 533-539.

The structure of liquid CCl4 . / Pusztai, L.; Mcgreevy, R. L.

In: Molecular Physics, Vol. 90, No. 4, 03.1997, p. 533-539.

Research output: Contribution to journalArticle

Pusztai, L & Mcgreevy, RL 1997, 'The structure of liquid CCl4 ', Molecular Physics, vol. 90, no. 4, pp. 533-539.
Pusztai L, Mcgreevy RL. The structure of liquid CCl4 Molecular Physics. 1997 Mar;90(4):533-539.
Pusztai, L. ; Mcgreevy, R. L. / The structure of liquid CCl4 In: Molecular Physics. 1997 ; Vol. 90, No. 4. pp. 533-539.
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