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We report the results of measurements of the static structure factor S(K) for gaseous 36 Ar at 140 K and four (subcritical) low densities from which, for the first time, we derive the well of the isotropic pair potential directly by means of a simple Fourier transform inversion.

Determination of molecular pair correlation functions and size and shape parameters for diatomic liquids from x ray and neutron diffraction data A new method of normalization applied to thermal neutron diffraction data on molecular liquids, called interval normalization, is proposed. The method consists of fitting the scattering by the free molecules to the corrected intensity distribution within a limited interval of wave number transfer. The method has been applied to the tetrachlorides of carbon, silicon, titanium, and tin in the liquid state at room temperature. Besides the pursued normalization, the intramolecular interatomic distances and mean amplitudes of vibration are obtained. These intramolecular parameters follow without applying Fourier transform techniques.(4) So far this result is the outcome of diffraction theory.

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Intermolecular scattering functions ofliquid GeCl 4 at 233 and 295 K and of liquid VCl 4 at 295 K are determined by thermal neutron diffraction. Reference interaction site model (RISM) calculations with U CI = 0.34 nm show good general correspondence with the experimental data. The RISM describes in much detail the difference between the two intermolecular scattering functions of GeCl 4 at different thermodynamic states. The results for VCl 4 are compared to experimental results by Gibson and Dore and to molecular dynamics calculations by Murad and Gubbins. The intermolecular scattering functions are tabulated.(3) 3776