Anomalous endohedral structure of Gd@C82 metallofullerenes

Eiji Nishibori, Kenichi Iwata, Makoto Sakata, Masaki Takata, Hiroshi Tanaka, Haruhito Kato, Hisanori Shinohara

Research output: Contribution to journalArticlepeer-review

60 Citations (Scopus)

Abstract

An anomalous endohedral structure of Gd@C82 metallofullerenes has been revealed by synchrotron radiation powder structure analysis by using the maximum entropy method. The Gd@C82 metallofullerene has C82-C2V cage structure as for Sc@C82 and La@C82 fullerenes. The Gd atom is located in the vicinity of the C-C double bond on the C2 molecular axis in the C82/C2V cage, which is the opposite end of the six-membered ring where Sc and La atoms in Sc@C82 and La@C82 are known to be placed. Furthermore, a significant overlap of the electron density distribution has been found between Gd atoms and carbon cages. A significantly polarized distribution of electrons has also been found on the carbon cage around the encapsulated Gd atom.

Original languageEnglish
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume69
Issue number11
DOIs
Publication statusPublished - 2004 Mar 29
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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