Comparison of the Molecular Dynamics of C70 in the Solid and Liquid Phases

Abstract EN

A previous study of C70 in deuterated benzenes generated evidence suggesting C70 exhibited unique reorientational behavior depending on its environment.

We present a comparison of the dynamic behavior of this fullerene, in the solid and solution phases, to explore any unique features between these two phases.

The effective correlation times, τCeff, of C70 in the solid state are 2 to 3 times longer than in solution.

In the solid state, a noticeable decrease in all the carbons' correlation times is seen between 293 K to 303 K; suggesting a transition from isotropic to anisotropic reorientational behavior at this temperature change.

Although C70 in solution experiences van der Waals type interactions, these interactions are not strong enough to slow the solution-state motion below what is observed in the solid state.

All observed differences in the diffusion constants, DX and DZ, in solution are smaller than in the solid state suggesting a lower energy of activation between these two modes of reorientation in the liquid phase.

A small-step diffusion “like” condition appears to be thermally generated in the solid phase at 323 K.