Prepared for publication by W. H. Powell, 1436 Havencrest Ct., Columbus, OH, 43220-3841, USA
Members of Working Party (1998-2002): F. Cozzi (Italy) Convenor, G.P. Moss (UK), W.H. Powell (USA), C. Thilgen (Switzerland), R.J.-R. Hwu (Taipei, China), A. Yerin (Russia).
Department of Chemistry, Queen Mary University of London,
Mile End Road, London, E1 4NS, UK
These Rules are as close as possible to the published version [see Pure Appl. Chem., 2002, 74, 629-695. Copyright IUPAC; reproduced with the permission of IUPAC]. If you need to cite these rules please quote this reference as their source.
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For a German translation see Angew. Chem., 2005, 117, 5065-5108.
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See also Numbering of Fullerenes (IUPAC Recommendations 2004) for the numbering of other fullerenes.
Fullerenes are a new allotrope of carbon characterized by a closed-cage structure consisting of an even number of three-coordinate carbon atoms devoid of hydrogen atoms. This class was originally limited to closed-cage structures with twelve isolated five-membered rings, the rest being six-membered rings.
Although it was recognized that existing organic ring nomenclature could be used for these structures, the resulting names would be extremely unwieldy and inconvenient for use. At the same time, it was also recognized that established organic principles could be used, or adapted, to provide a consistent nomenclature for this unique class of compounds based on the class name fullerene. However, it was necessary to develop an entirely new method for uniquely numbering closed-cage systems.
This paper describes IUPAC recommendations for naming and uniquely numbering the two most common fullerenes with isolated pentagons, the icosahedral C60 fullerene and the D5h(6)-C70 fullerene. It also describes recommendations for adapting organic nomenclature principles for naming fullerenes with nonclosed-cage structures, heterofullerenes, derivatives formed by substitution of hydrofullerenes, and the fusion of organic rings or ring systems to the fullerene cage. Finally, this paper suggests methods for describing structures consisting of two or more fullerene units and for denoting configurations of chiral fullerenes and their derivatives.