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.
Mercado
Brandon Q
BQ
Department of Chemistry, University of California, Davis, California 95616, USA.
Beavers
Christine M
CM
Olmstead
Marilyn M
MM
Chaur
Manuel N
MN
Walker
Kenneth
K
Holloway
Brian C
BC
Echegoyen
Luis
L
Balch
Alan L
AL