Features of intermolecular interactions in the crystals of metal acetylacetonates |
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Authors: | V N Serezhkin N V Sukachev L B Serezhkina D V Pushkin |
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Institution: | 1.Samara State University,Samara,Russia |
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Abstract: | For 12 acetylacetonates of the composition M(acac)
n
(n = 2, 3, or 4) and M(acac)(C2H4)2 (M is a metal) the total area (0
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 (0
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 0
S or 0
V 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. |
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Keywords: | |
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