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Issue 9, 2016
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Electrochemical reduction of cationic Li+@C60 to neutral Li+@C60˙: isolation and characterisation of endohedral [60]fulleride

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Abstract

Lithium-encapsulated [60]fullerene Li@C60, namely, lithium-ion-encapsulated [60]fullerene radical anion Li+@C60˙, was synthesised by electrochemical reduction of lithium-ion-encapsulated [60]fullerene trifluoromethanesulfonylimide salt [Li+@C60](TFSI). The product was fully characterised by UV-vis-NIR absorption and ESR spectroscopy as well as single-crystal X-ray analysis for the co-crystal with nickel octaethylporphyrin. In solution Li@C60 exists as a monomer form dominantly, while in the crystal state it forms a dimer (Li@C60–Li@C60) through coupling of the C60 radical anion cage. These structural features were supported by DFT calculations at the M06-2X/6-31G(d) level of theory.

Graphical abstract: Electrochemical reduction of cationic Li+@C60 to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride

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Supplementary files

Article information


Submitted
17 Mar 2016
Accepted
20 Jun 2016
First published
20 Jun 2016

This article is Open Access
All publication charges for this article have been paid for by the Royal Society of Chemistry

Chem. Sci., 2016,7, 5770-5774
Article type
Edge Article

Electrochemical reduction of cationic Li+@C60 to neutral Li+@C60˙: isolation and characterisation of endohedral [60]fulleride

H. Ueno, S. Aoyagi, Y. Yamazaki, K. Ohkubo, N. Ikuma, H. Okada, T. Kato, Y. Matsuo, S. Fukuzumi and K. Kokubo, Chem. Sci., 2016, 7, 5770
DOI: 10.1039/C6SC01209D

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