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

Hiroshi Ueno, Shinobu Aoyagi, Yu Yamazaki, Kei Ohkubo, Naohiko Ikuma, Hiroshi Okada, Tatsuhisa Kato, Yutaka Matsuo, Shunichi Fukuzumi, Ken Kokubo

Research output: Contribution to journalArticlepeer-review

23 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)5770-5774
Number of pages5
JournalChemical Science
Issue number9
Publication statusPublished - 2016
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)

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