Charge density level structures of endohedral metallofullerenes determined by synchrotron radiation powder method

Masaki Takata, Eiji Nishibori, Makoto Sakata, Hisanori Shinohara

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The recent X-ray structural studies of endohedral metallofullerenes by synchrotron radiation (SR) powder diffraction utilizing the maximum entropy method (MEM) are reviewed. Results for endohedral metallofullerenes (Y@C82, La@C82, Sc@C82, Sc2@C84, Sc3@C82, Sc2@C66, La2@C80 and Sc2C2@C84) are given. The precise MEM charge densities of metallofullerenes present direct images of the endohedral nature of metallofullerenes and reveal the features of the charge transfer from metal atoms to a carbon cage, which governs the stability of the unique endohedral structures. The MEM/Rietveld method, which is the crucial method for structural determination of endohedral metallofullerenes based on SR powder data, is also described in some detail.

Original languageEnglish
Pages (from-to)271-286
Number of pages16
JournalNew Diamond and Frontier Carbon Technology
Volume12
Issue number5
Publication statusPublished - 2002 Jan 1
Externally publishedYes

Keywords

  • Charge density
  • Maximum entropy method
  • Metallofullerene
  • Powder diffraction
  • Synchrotron radiation

ASJC Scopus subject areas

  • Materials Science(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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