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Additivity of guest and host properties in clathrates: a thermodynamic and Raman spectroscopic investigation of HPTB-based solids

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 .