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

doi:10.1021/ja020065x

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

Department of Chemistry

Research output: Contribution to journal › Article

131 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 language	English
Pages (from-to)	3494-3495
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	124
Issue number	14
DOIs	https://doi.org/10.1021/ja020065x
Publication status	Published - 2002 Apr 10

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All Science Journal Classification (ASJC) codes

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

Cite this

Lee, H. M., Olmstead, M. M., Iezzi, E., Duchamp, J. C., Dorn, H. C., & Balch, A. L. (2002). Crystallographic characterization and structural analysis of the first organic functionalization product of the endohedral fullerene Sc₃N@C₈₀. Journal of the American Chemical Society, 124(14), 3494-3495. https://doi.org/10.1021/ja020065x

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

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.",

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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 journal › Article

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T1 - Crystallographic characterization and structural analysis of the first organic functionalization product of the endohedral fullerene Sc3N@C80

AU - Lee, Hon Man

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AU - Dorn, Harry C.

AU - Balch, Alan L.

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N2 - 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.

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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10.1021/ja020065x