Home – Home – Jornals – Journal of Structural Chemistry 2011 number 3

For 12 acetylacetonates of the composition M(acac)_n (n = 2, 3, or 4) and M(acac)(С₂Н₄)₂ (М is a metal) the total area (⁰S) of the faces of Voronoi-Dirichlet polyhedra (VDP) corresponding to all intermolecular contacts of one molecule in the crystal structure and the total volume of pyramids (⁰V), whose bases are formed of such faces and the vertices are occupied by the nuclei of atoms participating in intermolecular contacts, are determined. The key features of non-bonded interactions are considered. The existence of a linear dependence of the sublimation enthalpy of acetylacetonates on the ⁰S or ⁰V parameters of their molecular VDP is revealed. It is shown that the sublimation enthalpy of Ga(acac)₃ requires the refinement and theoretically should be 124 kJ/mol.