Thermodynamic Properties from Calorimetry and Density Functional Theory and the Thermogravimetric Analysis of the Fullerene Derivative C60(OH)40

This paper presents experimental and simulated isobaric heat capacities of the C-60(OH)(40) fullerenol in the temperature range from T = 0 to 320 K along with the values of standard thermodynamic functions: S-m degrees [Phi(m)degrees(T) - Phi(m)degrees(0)], and [H-m degrees(T) - H-m degrees(0)]. Furthermore, the molar entropy of formation and the molar third law entropy of C-60(OH)(40) in the crystalline state at T = 298.15 K were calculated. The results of the simultaneous thermal analysis reveal that C-60(OH)(40) is stable up to 340 K, and further increase of temperature leads to the destruction of the fullerene derivative and the oxidation of the fullerene core.