Rock-salt-type crystal of thermally contracted C 60 with encapsulated lithium cation

Shinobu Aoyagi, Yuki Sado, Eiji Nishibori, Hiroshi Sawa, Hiroshi Okada, Hiromi Tobita, Yasuhiko Kasama, Ryo Kitaura, Hisanori Shinohara

Research output: Contribution to journalArticlepeer-review

66 Citations (Scopus)


Rock solid: Fullerene-encapsulated Li + (Li +@C 60) is an alkaline cation owing to the spherical shape and positive charge. Li +@C 60 crystallizes as a rock-salt-type crystal in the presence of PF 6 -. The orientations of C 60 (green; see picture) and PF 6 - (orange) are perfectly ordered below 370 K, and Li + (purple) hops within the cage. At temperatures below 100 K two Li + units are localized at two polar positions within each C 60.

Original languageEnglish
Pages (from-to)3377-3381
Number of pages5
JournalAngewandte Chemie - International Edition
Issue number14
Publication statusPublished - 2012 Apr 2


  • electrostatic interactions
  • fullerenes
  • lithium
  • molecular devices
  • phase transitions

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)


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