Sc3N@C68: Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule

Marilyn M. Olmstead; Hon Man Lee; James C. Duchamp; Steven Stevenson; Daniela Marciu; Harry C. Dorn; Alan L. Balch

doi:10.1002/anie.200390237

Sc3N@C68: Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule

Marilyn M. Olmstead, Hon Man Lee, James C. Duchamp, Steven Stevenson, Daniela Marciu, Harry C. Dorn, Alan L. Balch

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

160 Citations (Scopus)

Abstract

Breaking the rule: The structure of Sc₃N@C₆₈·[N¹¹(OEP)] ·2C₆H₆ has been determined by single-crystal X-ray diffraction. The fullerene cage exists as an isomer with D₃ symmetry (see picture), as initially predicted by density functional calculations. The scandium atoms are located over the centers of three pentalene units within the three-cornered carbon cage, which cannot obey the isolated pentagon rule. OEP=Octaethylporphyrinate.

Original language	English
Pages (from-to)	900-903
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	42
Issue number	8
DOIs	https://doi.org/10.1002/anie.200390237
Publication status	Published - 2003 Feb 24

All Science Journal Classification (ASJC) codes

Chemistry(all)

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10.1002/anie.200390237

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title = "Sc3N@C68: Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule",

abstract = "Breaking the rule: The structure of Sc3N@C68·[N11(OEP)] ·2C6H6 has been determined by single-crystal X-ray diffraction. The fullerene cage exists as an isomer with D3 symmetry (see picture), as initially predicted by density functional calculations. The scandium atoms are located over the centers of three pentalene units within the three-cornered carbon cage, which cannot obey the isolated pentagon rule. OEP=Octaethylporphyrinate.",

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Sc3N@C68 : Folded pentalene coordination in an endohedral fullerene that does not obey the isolated pentagon rule. / Olmstead, Marilyn M.; Lee, Hon Man; Duchamp, James C.; Stevenson, Steven; Marciu, Daniela; Dorn, Harry C.; Balch, Alan L.

In: Angewandte Chemie - International Edition, Vol. 42, No. 8, 24.02.2003, p. 900-903.

Research output: Contribution to journal › Article › peer-review

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AU - Marciu, Daniela

AU - Dorn, Harry C.

AU - Balch, Alan L.

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