Abstract
Dynamic and thermodynamic properties of acetylacetones of copper, aluminium, indium, and rhodium (Cu(C5H7O2)2, Al(C5H7O2)3, In(C5H702)3, Rh(C5H7O2)3, respectively) have been calculated by the method of lattice dynamics within the atom-atom potential approximation; van der Waals interactions and electrostatic interactions for charges localized on the atoms are included. External vibrational spectra have been calculated for crystal structures of these compounds. Results obtained for ΔS (entropy of transition) have no analogue and within certain ranges of approximation these results allow us to estimate the saturated vapour pressure for the given class of compounds which is of great practical importance. The consequence of different structural fragments on these properties is considered. Pecularities of electrostatic and van der Waals interactions have been revealed. Analyses of the calculated and experimental results have been carried out. The limitations of both model approximations used and the interaction potentials have been found.
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