Published Research - Department of Chemistry


Date of this Version

May 2000


Published by American Institute of Physics. J. Chem. Physics VOLUME 112, NUMBER 17, 1 MAY 2000. ©2000 American Institute of Physics. Permission to use.


Single, isomorphous crystals of the guest-free clathrand of Dianin’s compound and two of its clathrates containing two ethanols and a heptanol, respectively, have been studied by Brillouin scattering to obtain their complete elastic constant tensors. The values found for individual elastic constants are related to microscopic interactions of the guests and host cage using the clathrand as the reference. Direct correlation of the interference of the guest heptanol molecule with the hexamer hydrogen-bonded network of the host cage to reduced stiffness of this clathrate is demonstrated. In contrast, the ethanol-containing clathrate is demonstrated to have negligible interaction of the guests on the host cage hydrogen bonding. Additionally, the ethanol guests are shown to provide a buttressing effect that increases the stiffness of the guest–host system in specific directions. The results are shown to be consistent with previous thermal conductivity and solid state NMR studies on these systems. The results demonstrate the use of macroscopic elastic constants in understanding the nature of the microscopic interactions in supramolecular crystals.

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