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Chemistry International
Vol. 24, No. 5
September 2002

 

Highlights from Pure and Applied Chemistry


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

by W. H. Powell, F. Cozzi, G. P. Moss, C. Thilgen, R. J.-R. Hwu, and A. Yerin
Pure and Applied Chemistry, Vol. 74, No. 4, pp. 629- 695 (2002)

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-member rings, the rest being six-member 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. Incorrect von Baeyer ring names have been published. 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.

(C60-Ih)[5,6]fullerene
(C70-D5h(6))[5,6]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, the paper suggests methods for describing structures consisting of two or more fullerene units and for denoting configurations of chiral fullerenes and their derivatives.

www.iupac.org/publications/pac/2002/7404/7404x0629.html

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