Abstract
Dynamics of molecules in the solid state holds promise for connecting molecular behaviors with properties of bulk materials. Solid-state dynamics of [60]fullerene (C60) is controlled by intimate intermolecular contacts and results in restricted motions of a ratchet phase at low temperatures. Manipulation of the solid-state dynamics of fullerene molecules is thus an interesting yet challenging problem. Here we show that a tubular host for C60 liberates the solid-state dynamics of the guest from the motional restrictions. Although the intermolecular contacts between the host and C60 were present to enable a tight association with a large energy gain of –14 kcal mol–1, the dynamic rotations of C60 were simultaneously enabled by a small energy barrier of +2 kcal mol–1 for the reorientation. The solid-state rotational motions reached a non-Brownian, inertial regime with an extremely rapid rotational frequency of 213 GHz at 335 K.
Highlights
Dynamics of molecules in the solid state holds promise for connecting molecular behaviors with properties of bulk materials
Manipulation of such unique solid-state dynamics is a challenging yet interesting subject to be explored for dynamic solid-state materials8, 9, and an interesting method for the dynamics control has been exploited by using carbon nanotubes (CNT)10
The structural investigations of C60 dynamics in a tubular supramolecular host revealed the presence of unique rotational motions, which reached the inertial rotational regime at 335 K
Summary
Dynamics of molecules in the solid state holds promise for connecting molecular behaviors with properties of bulk materials. Solid-state dynamics of [60]fullerene (C60) is controlled by intimate intermolecular contacts and results in restricted motions of a ratchet phase at low temperatures. The phase transition temperature, the other rotator phase emerges to allow for the rapid rotations of C60 molecules In this high-temperature region, the rotational motions approach the boundary of the diffusional, Brownian rotations with a motional measure of χ = 2.4 at 331 K (see below). Manipulation of such unique solid-state dynamics is a challenging yet interesting subject to be explored for dynamic solid-state materials , and an interesting method for the dynamics control has been exploited by using carbon nanotubes (CNT). 1012 such tight associations, the dynamic rotational motions of the C60 guest are present both in solution and solid
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