Issue 9, 2016

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

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

Supplementary files

Article information

Article type
Edge Article
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
Creative Commons BY-NC license

Chem. Sci., 2016,7, 5770-5774

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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