Y. Jin et al., THERMODYNAMIC CHARACTERIZATION OF THE PLASTIC CRYSTAL AND NONPLASTIC CRYSTAL PHASES OF C-70, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 257, 1994, pp. 235-250
Heat capacity measurements were performed on chromatographically purif
ied C-70 from 120 to 560 K by DSC. The experimental values were linked
to the vibrational heat capacity, calculated based on normal-mode vib
ration frequencies available from the literature. Good agreement is fo
und, as prior for C-60. Major orientational disorder is introduced in
two closely spaced transitions, reflecting the change to the phase tha
t displays anisotropic rotation of the rugby-ball shaped molecules. Th
e total entropy of the disordering transitions is 22.4J/(Kmol), slight
ly lower than that of C-60, but additional entropy is gradually acquir
ed between 120 K and the transition temperature, making the total entr
opy gain higher than that of C-60, as expected for a less symmetric mo
lecule. The Debye temperature for the six lattice vibrations of C-70 w
as calculated to be 45 K, compared to 53 K for C-60. No melting temper
ature could be detected for C-70 up to 950 K, but the entropy of fusio
n is estimated to be 12J/K mol). Enthalpies, Gibbs energies, and entro
pies have been calculated from 0 to 1000 K.