X-ray diffraction pattern and models of liquid benzene

Abstract

X-ray diffraction data for liquid benzene at 25°C are analyzed using scattering factors for C–H groups rather than for C and H atoms. This new approach permits the unique extraction of structure and correlation functions for carbon–carbon interactions from a single experiment. The data are used to find parameters for a model (RISM) of liquid benzene which permits calculation of all intermolecular atom pair correlation functions. The predominant arrangement in the liquid is one in which pairs of molecules fit together like six-toothed bevel gear wheels whose axes are almost at right angles.