Chlorine aggregation in the supramolecular structure of chlorobenzene-o-chlorotoluene solutions

An analysis of the concentration dependences of the molecular light scattering parameters in chlorobenzene-o-chlorotoluene solutions shows that the entire concentration range can be split into three intervals with different structural features: 0-0.2 ppm, 0.2-0.9 ppm, and 0.9-1 ppm chlorobenzene. The features are manifest in physicochemical properties such as sound velocity and excess molar volume, adiabatic compressibility, and molar refraction. Experimental data are compared with those obtained by molecular dynamics simulation. It is concluded that the chlorobenzene structure is determined by ClaEuro broken vertical bar Cl interactions while the structuring of liquid o-chlorotoluene and its solutions is largely determined by intermolecular ClaEuro broken vertical bar Me interactions.