Abstract

New neutron and x-ray diffraction measurements are reported on liquid chloroform,CHCl3, andbromoform, CHBr3. Experimental total scattering structure factors have been interpreted by the reverseMonte Carlo method of structural modelling. Partial radial distribution functions,intramolecular bond angle distributions and functions characterizing distance-dependentorientational correlations have been calculated directly from the particle coordinates. It hasbeen found that most of these characteristics of the microscopic structure can beapproximated rather well by functions calculated for hard sphere like reference systems.The two liquids show similar features from the point of view of their structure. There arealso some distinctive features in terms of orientational correlations: nearest neighbourmolecules prefer face-to-face arrangement in chloroform whereas in bromoform, edge-to-faceconfigurations dominate, with a significant occurrence of corner-to-face type correlations.

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