Vibrations in atoms in liquid 1,4-dimethylbenzene

Abstract

The structure of 1,4-dimethylbenzene C6H4(CH3)2 at 293 K was investigated using the X-ray diffraction method. The observable range of scattering angles was 6 ≤ 2Θ ≤ 120°. Monochromatic radiation MoKα enabled determination of the scattered radiation intensity between S min = 0.430 Å−1 and S max = 14.311 Å−1. Mean amplitudes of vibrations as a function of CC internuclear distances in 1,4-dimethylbenzene molecule were calculated. Analysis of intramolecular interactions between pairs of atoms has been made, taking into account the values of the temperature factors . Experimental distribution of scattered X-radiation intensity i(S) was compared with theoretical results predicted for a proposed model of 1,4-dimethylbenzene molecule. The best fitting theoretical curve i m (S) for the function i(S) was obtained. Also for the first time, the method of reduction proposed by Mozzi–Warren with modifications introduced by the author has been applied to verify the assumed model of the molecule studied and to separate the intra- from inter-molecular interactions. The mean distances between the neighbouring molecules and the packing coefficient of liquid 1,4-dimethylbenzene were found.