IOP Publishing, Journal of Physics: Condensed Matter, 11(8), p. 1647-1661
DOI: 10.1088/0953-8984/8/11/010
Full text: Download
The heat capacities of hexakis(phenylthio)benzene (abbreviated as HPTB) and the clathrate have been determined from 30 to about 300 K. In addition, the room-temperature Raman spectra have been obtained for both compounds. The Raman spectrum of is very closely approximated by the sum of the spectrum of HPTB and that of pure , indicating the additivity of the guest and host intramolecular interactions. These internal degrees of freedom dominate the heat capacity, and the present analysis shows the importance of the low-frequency modes. Over a wide range of temperature below 200 K, the calculated Grüneisen parameter of HPTB is higher than for .