Crystallographic characterization and structural analysis of the first organic functionalization product of the endohedral fullerene Sc3N@C80

Hon Man Lee, Marilyn M. Olmstead, Erick Iezzi, James C. Duchamp, Harry C. Dorn, Alan L. Balch

Research output: Contribution to journalArticle

129 Citations (Scopus)

Abstract

The structure of Sc3N@C80-C10H12O2, a Diels-Alder cycloadduct of Sc3N@C80, has been determined. The crystallographic data shows that cycloaddition occurs at a C-C bond of 6:5 ring junction, and that the fullerene C1-C2 bond is elongated and pulled out from the fullerene. The Sc3N unit is well-ordered within the C80 cage and positioned away from the site of addition. The proximity of the Sc atoms to the cage carbon atoms causes those carbon atoms to protrude slightly from the surface of the fullerene cage.

Original languageEnglish
Pages (from-to)3494-3495
Number of pages2
JournalJournal of the American Chemical Society
Volume124
Issue number14
DOIs
Publication statusPublished - 2002 Apr 10

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Fullerenes
Structural analysis
Atoms
Carbon
Cycloaddition
Cycloaddition Reaction

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Lee, Hon Man ; Olmstead, Marilyn M. ; Iezzi, Erick ; Duchamp, James C. ; Dorn, Harry C. ; Balch, Alan L. / Crystallographic characterization and structural analysis of the first organic functionalization product of the endohedral fullerene Sc3N@C80. In: Journal of the American Chemical Society. 2002 ; Vol. 124, No. 14. pp. 3494-3495.
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Crystallographic characterization and structural analysis of the first organic functionalization product of the endohedral fullerene Sc3N@C80. / Lee, Hon Man; Olmstead, Marilyn M.; Iezzi, Erick; Duchamp, James C.; Dorn, Harry C.; Balch, Alan L.

In: Journal of the American Chemical Society, Vol. 124, No. 14, 10.04.2002, p. 3494-3495.

Research output: Contribution to journalArticle

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AU - Lee, Hon Man

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AU - Balch, Alan L.

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AB - The structure of Sc3N@C80-C10H12O2, a Diels-Alder cycloadduct of Sc3N@C80, has been determined. The crystallographic data shows that cycloaddition occurs at a C-C bond of 6:5 ring junction, and that the fullerene C1-C2 bond is elongated and pulled out from the fullerene. The Sc3N unit is well-ordered within the C80 cage and positioned away from the site of addition. The proximity of the Sc atoms to the cage carbon atoms causes those carbon atoms to protrude slightly from the surface of the fullerene cage.

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