X-ray diffraction investigation of cyclohexane derivatives at 293 K

This paper reports results of the X-ray diffraction structural studies of liquid cyclohexylamine C6H11–NH2 and cyclohexanol C6H11–OH performed at 293 K. The method of X-ray scattering and Fourier analysis enabled the determination of the mean structural parameters of the liquids studied. The wide-angle X-ray scattering (WAXS) method provided new information on mutual arrangement and orientation of the molecules of the above mentioned compounds in the liquid phase. The measurements of scattered radiation intensity were performed in a wide range of wave vector (from Smin=0.925 Å−1 to Smax=14.311 Å−1), with the use of X-ray radiation MoKα (λ=0.71069 Å). Angular distributions of X-ray scattered intensity were measured, and differential radial distribution functions of electron density (DRDFs) were calculated. The mean distances between the neighbouring molecules and the mean radii of coordination spheres were found. A simple model of short-range arrangement of the molecules was proposed, which seems to be valid for other polar monosubstituted cyclohexane derivatives in the liquid phase.

► X-ray method enabled the determination of the structure of cyclohexane derivatives. ► Determination of the mean parameters of the liquid structure has been discussed. ► A simple model of short-range arrangement and orientation of the molecules was proposed. ► Results are valid for a wide group of molecular liquids.