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Ratchet-free solid-state inertial rotation of a guest ball in a tight tubular host

机译:紧密管状主机中来宾球的无棘轮固态惯性旋转

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摘要

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.
机译:固态分子的动力学有望将分子行为与散装材料的性能联系起来。 [60]富勒烯(C60)的固态动力学受密切的分子间接触控制,并导致棘轮相在低温下的运动受到限制。因此,富勒烯分子的固态动力学的操纵是一个有趣但具有挑战性的问题。在这里,我们显示了C60的管状主体从运动限制中释放了来宾的固态动力学。尽管存在主体与C60之间的分子间接触以实现紧密结合,并具有–14 kcal mol –1 的大能量增益,但C60的小能量垒同时实现了C60的动态旋转+2 kcal mol –1 用于重新定向。固态旋转运动达到非布朗惯性状态,在335 K时具有213 GHz的极快旋转频率。

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