Theoretical investigation of (MgCl₂)_x polynuclear species formed during preparation of MgCl₂-supported Ziegler-Natta catalysts from solid solvates

Models of (MgCl₂)_x polynuclear structures are built and a method for the calculation of the X-ray powder diffraction patterns of the models is devised. The calculated diffraction patterns of these model structures may be useful to interpret the structural evolution of solid solvates of MgCl₂ with Lewis bases during the preparation of the heterogeneous catalyst systems used for Ziegler-Natta polymerization of olefins.