Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.257, 235-250, 1994
Thermodynamic Characterization of the Plastic Crystal and Nonplastic Crystal Phases of C-70
Heat capacity measurements were performed on chromatographically purified C-70 from 120 to 560 K by DSC. The experimental values were linked to the vibrational heat capacity, calculated based on normal-mode vibration frequencies available from the literature. Good agreement is found, as prior for C-60. Major orientational disorder is introduced in two closely spaced transitions, reflecting the change to the phase that displays anisotropic rotation of the rugby-ball shaped molecules. The total entropy of the disordering transitions is 22.4J/(Kmol), slightly lower than that of C-60, but additional entropy is gradually acquired between 120 K and the transition temperature, making the total entropy gain higher than that of C-60, as expected for a less symmetric molecule. The Debye temperature for the six lattice vibrations of C-70 was calculated to be 45 K, compared to 53 K for C-60. No melting temperature could be detected for C-70 up to 950 K, but the entropy of fusion is estimated to be 12J/K mol). Enthalpies, Gibbs energies, and entropies have been calculated from 0 to 1000 K.
Keywords:HEAT-CAPACITY MEASUREMENTS;LINEAR MACROMOLECULES;VIBRATIONAL FREQUENCIES;SKELETAL VIBRATIONS;SOLID C-60;C70;C60;CLUSTERS;SPECTRA;CARBON