International Union of Pure and Applied Chemistry

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

(IUPAC Recommendations 2002)

http://www.chem.qmul.ac.uk/iupac/fullerene/

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).

World Wide Web version Prepared by G. P. Moss

Department of Chemistry, Queen Mary University of London,
Mile End Road, London, E1 4NS, UK
g.p.moss@qmul.ac.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.

A PDF of the printed version is available.

For a German translation see Angew. Chem., 2005, 117, 5065-5108.

In setting up the World Wide Web version some errors have been detected. The changes have been marked by error details which is a link to details of the change and where it applies. For problems in converting the text into a World Wide Web version see the IUPAC nomenclature home page.

Any comments, corrections or suggestions for a future edition should be e-mailed to g.p.moss@qmul.ac.uk

See also Numbering of Fullerenes (IUPAC Recommendations 2004) for the numbering of other fullerenes.

Synopsis

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.

Contents


Continued with Fu-0. Introduction
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