Tb3N@C84 :  An Improbable, Egg-Shaped Endohedral Fullerene that Violates the Isolated Pentagon Rule

TitleTb3N@C84 :  An Improbable, Egg-Shaped Endohedral Fullerene that Violates the Isolated Pentagon Rule
Publication TypeJournal Article
Year of Publication2006
AuthorsBeavers, Christine M., Zuo Tianming, Duchamp James C., Harich Kim, Dorn Harry C., Olmstead Marilyn M., and Balch Alan L.
JournalJournal of the American Chemical Society
Volume128
Issue35
Pagination11352 - 11353
Date Published09/2006
ISSN1520-5126
KeywordsAnalytical chemistry, Carbon, Crystallography, Nitrogen, Terbium
DOI10.1021/ja063636k
Short TitleJ. Am. Chem. Soc.
Citation Key195
Full Text

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.

WebElements: the periodic table on the WWW [http://www.webelements.com/]

Copyright 1993-2011 Mark Winter [The University of Sheffield and WebElements Ltd, UK]. All rights reserved.