Structure Determination of Endohedral Metallofullerenes

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  • SUZUKI Mitsuaki
    Faculty of Education, Tokyo Gakugei University Department of Chemistry, Faculty of Science, Josai University
  • YAMADA Michio
    Department of Chemistry, Tokyo Gakugei University
  • MAEDA Yutaka
    Department of Chemistry, Tokyo Gakugei University
  • NAGASE Shigeru
    Fukui Institute for Fundamental Chemistry (FIFC), Kyoto University
  • AKASAKA Takeshi
    Foundation For Advancement of International Science (FAIS) Tokyo Gakugei University

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Other Title
  • 金属内包フラーレンの構造決定
  • キンゾク ナイホウ フラーレン ノ コウゾウ ケッテイ

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For the structure determination of endohedral metallofullerenes (EMFs), X-ray crystallographic study is very powerful because it provides detailed information of the positions of encapsulated species as well as the cage structures. We have reported a number of X-ray crystal structures of EMFs and their derivatives, which are in good agreement with those suggested by theoretical calculations as well as NMR analyses. Herein we show the importance of interplay between experiments and theoretical calculations for the structure determination of EMFs by taking up La@C82, Gd@C82, and Sc2@C66 as the representative examples.

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