Short-range ordering in liquid bicyclohexyl by X-ray diffraction

The paper reports results of the X-ray diffraction structural studies of liquid bicyclohexyl, C6H11 - C6H11 at room temperature, using CuK<(<alpha>)over bar> radiation. Angular distribution of X-ray scattered intensity was measured, and the electron-density radial-distribution Function was calculated. Computer techniques were used to minimize the effects of experimental errors, uncertainties in the scattering factors, and termination errors. Good agreement between the theoretical and experimental functions was obtained on assuming the statistically most probable model of this molecule. The structural data obtainable by X-ray analysis for liquid bicyclohexyl were discussed. The mean distances between the neighbouring molecules and the radii of coordination spheres were found. The maxima in the differential radial distribution function were at: (r) over bar (1) = 4.68, (r) over bar (2) = 5.57, (r) over bar (3) = 6.62, (r) over bar (4) = 8.05 Angstrom. X-ray structural analysis was applied to determine the packing coefficient of bicyclohexyl molecules. A simple model of short-range arrangement of the molecules in liquid bicyclohexyl was proposed.