Is the isolated pentagon rule merely a suggestion for endohedral fullerenes? The structure of a second egg-shaped endohedral fullerene--Gd3N@C(s)(39663)-C82.
The structure of Gd3N@Cs(39663)-C82 has been determined through single crystal X-ray diffraction on Gd3N@Cs(39663)-C82.NiII(OEP).2(C6H6) The carbon cage has a distinct egg shape because of the presence of a single pair of fused pentagons at one apex of the molecule. Although 9 IPR structures are available to the C82 cage, one of the 39709 isomeric structures that do not conform to the IPR was found in Gd3N@Cs(39663)-C82. The egg-shaped structure of Gd3N@Cs(39663)-C82 is similar to that observed previously for M3N@Cs(51365)-C84 (M = Gd, Tm, Tb). As noted for other non-IPR endohedral fullerenes, one Gd atom in Gd3N@Cs(39663)-C82 is nestled within the fold of the fused pentagons.
Department of Chemistry, University of California, Davis, California 95616, USA.
Brandon Q
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Mercado
Christine M
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Beavers
Marilyn M
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Olmstead
Manuel N
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Chaur
Kenneth
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Walker
Brian C
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Holloway
Luis
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Echegoyen
Alan L
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Balch