Heat capacity and thermodynamic functions of ruthenium tris-acetylacetonate from 0 K up to the melting point

• The heat capacity for Ru(AA)3 for the entire range of solid phase existence.
• Density of phonon states calculated from the low-temperature heat capacity
• Thermodynamic functions in the range (0–505) K.

In the present work, the vibrational spectrum of the ruthenium tris-acetylacetonate crystal, Ru(C5H7O2)3, was reconstructed and its heat capacity was calculated for the entire range of solid phase existence (5–505 K) based on the experimental data on heat capacity obtained by adiabatic method within the range of 6–310 K. The Сp−Cv difference was estimated at the temperatures above 310 K. Based on the heat capacity obtained from the vibrational spectrum, integral thermodynamic functions (entropy, internal energy, and Helmholtz energy) were calculated up to the melting point.