Rotational dynamics of Li+ ions encapsulated in C60 cages at low temperatures

Literature Information

Publication Date 2016-11-07
DOI 10.1039/C6CP06949E
Impact Factor 3.676
Authors

Hal Suzuki, Misaki Ishida, Masatsugu Yamashita, Chiko Otani, Kazuhiko Kawachi, Yasuhiko Kasama, Eunsang Kwon


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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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DOI: 10.1039/B0RP90007A

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DOI: 10.1039/JA99510FX061

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DOI: 10.1039/JA99510BX063

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Atomic Spectrometry Updates—References

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DOI: 10.1039/JA995100311R

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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