AI Article Synopsis
- The structure of isomer 2 of Tb3N@C84 was analyzed using single-crystal X-ray diffraction techniques, revealing an egg-shaped carbon cage.
- Despite having 24 IPR (Isolated Pentagon Rule) structures available, Nature chose one of the 51,568 isomeric forms that does not follow the IPR for this molecule.
- The Tb3N portion of the molecule remains planar, with one terbium atom located within the fused pentagon's fold, while the other terbium atoms display disorder across four pairs of sites.
Article Abstract
The structure of isomer 2 of Tb3N@C84 has been determined through single-crystal X-ray diffraction on Tb3N@C84.NiII(OEP).2(C6H6). The carbon cage has a distinct egg shape due to the presence of a single pair of fused pentagons at one apex of the molecule. Thus, although 24 IPR structures are available to the C84 cage, Nature utilizes one of the 51 568 isomeric structures that do not conform to the IPR for this unusual molecule. The Tb3N portion of isomer 2 of Tb3N@C84 is strictly planar. One Tb atom is nestled within the fold of the fused pentagons, while the other Tb atoms are disordered over four pairs of sites.
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| http://dx.doi.org/10.1021/ja063636k | DOI Listing |
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Tb3N@C84: an improbable, egg-shaped endohedral fullerene that violates the isolated pentagon rule.
J Am Chem Soc
September 2006
Department of Chemistry, University of California, Davis, One Shields Avenue, Davis, California 95616, USA.
Article Synopsis
- The structure of isomer 2 of Tb3N@C84 was analyzed using single-crystal X-ray diffraction techniques, revealing an egg-shaped carbon cage.
- Despite having 24 IPR (Isolated Pentagon Rule) structures available, Nature chose one of the 51,568 isomeric forms that does not follow the IPR for this molecule.
- The Tb3N portion of the molecule remains planar, with one terbium atom located within the fused pentagon's fold, while the other terbium atoms display disorder across four pairs of sites.
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