THE STRUCTURE OF LIQUID CCL4

Citation
L. Pusztai et Rl. Mcgreevy, THE STRUCTURE OF LIQUID CCL4, Molecular physics, 90(4), 1997, pp. 533-539
Citations number
18
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
90
Issue
4
Year of publication
1997
Pages
533 - 539
Database
ISI
SICI code
0026-8976(1997)90:4<533:TSOLC>2.0.ZU;2-L
Abstract
The structure factor of liquid carbon tetrachloride has been measured up to Q = 10 Angstrom(-1) at ambient temperature using the SLAD diffra ctometer at NFL Studsvik. The results, which are comparable with previ ous 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 th e model. An analysis of the particle configurations obtained, that are fully consistent with the experimental structure factor, shows no evi dence 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 c orner-to-corner type, and not of the corner-to-face type.