SCHEDULED MAINTENANCE
Rotational dynamics of Li+ ions encapsulated in C60 cages at low temperatures†
Abstract
Li+ ions encapsulated in fullerene C60 cages (Li+@C60) are expected to be suitable as molecular switches that respond to local electric fields. In this study, the rotational dynamics of Li+ ions in C60 cages at low temperatures are experimentally revealed for the first time using terahertz absorption spectroscopy. In crystalline [Li+@C60](PF6−), the Li+ ion rotates in the carbon cage even at 150 K. The rotational mode gradually changes into a librational mode below 120 K, which is associated with the localization of Li+ ions due to the electrostatic interactions with its screening image charge on the C60 cage as well as with the neighboring Li+@C60 and PF6− ions. A simple rotational/librational energy scheme for the Li+ ions successfully explains the spectroscopic results, and the potential of Li+@C60 as a molecular switch is discussed based on the energy scheme.
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