Simulation of SAXS patterns of hexa-n-alkoxy-2,3,6,7,10,11-triphenylene mesophase

Small-angle X-ray scattering (SAXS) experiments and molecular dynamic modelling of the mesomorphic organisation of hexa-n-pentoxy-2,3,6,7,10,11-triphenylene are reported. Simulated SAXS patterns extracted from molecular dynamic simulations account for the fact that despite a perfect organisation of the columns in a 2D hexagonal array, in most case, SAXS patterns show only the fundamental diffraction peak with a limited number of higher order reflections. [GRAPHICS] .