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Pure Appl. Chem., 2002, Vol. 74, No. 4, pp. 629-695


Nomenclature for the C60-Ih and C70-D5h(6) fullerenes (IUPAC Recommendations 2002)

W. H. Powell1*, F. Cozzi2, G. P. Moss3, C. Thilgen4, R. J.-R. Hwu5 and A. Yerin6

1 1436 Havencrest Ct., Columbus, OH 43220-3841, USA
2 Dipartimento di Chimica Organica e Industriale, Università degli Studi di Milano, Via Golgi 19, I-20133 Milano, Italy
3 Department of Chemistry, Queen Mary, University of London, Mile End Road, London, E1 4NS, UK
4 Laboratorium für Organische Chemie, ETH-Zentrum, Universitätstrasse 16, CH-8092 Zürich, Switzerland
5 Institute of Chemistry, Academia Sinica, Nankang, Taipei, 11529 Taiwan
6 Advanced Chemistry Development, ul. Akademika Bakuleva, 6, str. 1, ACD, RF-117513 Moscow, Russia.

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 12 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 nomenclature 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 a D5h-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.


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