Features of intermolecular interactions in the crystals of metal acetylacetonates.

For 12 acetylacetonates of the composition M(acac) ( n = 2, 3, or 4) and M(acac)(CH) (M is a metal) the total area ( S) 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 ( V), 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 S or V parameters of their molecular VDP is revealed. It is shown that the sublimation enthalpy of Ga(acac) requires the refinement and theoretically should be 124 kJ/mol. [ABSTRACT FROM AUTHOR]