Floating single hydrogen molecule in an open-cage fullerene

Hiroshi Sawa, Yusuke Wakabayashi, Yasujiro Murata, Michihisa Murata, Koichi Komatsu

Research output: Contribution to journalArticlepeer-review

32 Citations (Scopus)


(Figure Presented) Open-mouthed fullerene swallows H2 whole: Direct observation of a H2 molecule that is fully encapsulated by a derivative of an aza-thia open-cage fullerene (see model) is achieved by synchrotron X-ray diffraction analysis of single crystals. A 3D electron-density map obtained by the maximum entropy method shows a single H2 molecule (red) floating in the center of a hollow cavity in the open-cage fullerene molecule (yellow).

Original languageEnglish
Pages (from-to)1981-1983
Number of pages3
JournalAngewandte Chemie - International Edition
Issue number13
Publication statusPublished - 2005 Mar 18
Externally publishedYes


  • Cage compounds
  • Fullerenes
  • Host-guest systems
  • Hydrogen
  • X-ray diffraction

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)


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