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Structure of endohedral fullerene Eu@C74.

Dmitrij Rappoport1, Filipp Furche

  • 1Department of Chemistry, University of California, Irvine, CA 92697-2025, USA. d.rappoport@uci.edu

Physical Chemistry Chemical Physics : PCCP
|October 8, 2009
PubMed
Summary

Determining endohedral fullerene structures without X-ray data is challenging. This study uses density functional theory and spectral analysis to reveal the pear-shaped C(2v) structure of Eu@C(74), showing strong metal-pi interactions.

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