International Union of Pure and Applied Chemistry
Division of Chemical Nomenclature and Structure Representation
Numbering of Fullerenes
(IUPAC Recommendations 2004)
https://iupac.qmul.ac.uk/fullerene2/
Members of Working Party (1998-2002): F. Cozzi (Italy), W.H. Powell (USA), C. Thilgen (Switzerland).
World Wide Web version Prepared by G. P. Moss
School of Physical and Chemical Sciences, 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., 2005, 77, 843-923. 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.
Any comments, corrections or suggestions for a future edition should be e-mailed to g.p.moss@qmul.ac.uk
Synopsis
Rules for numbering (C60-Ih)[5,6]fullerene and (C70-D5h(6))[5,6]fullerene were codified in a publication "Nomenclature for the (C60-Ih)[5,6] and (C70-D5h(6))[5,6]fullerenes" published in Pure Appl. Chem. 74, 629-695, 2002. The current publication contains recommendations for numbering a wide variety of fullerenes of different sizes, with rings of different sizes, from C20 to C120, and of various point group symmetries, including low symmetries such as Cs, Ci, and C1, as well as many fullerenes that have been isolated and well characterized as pristine carbon allotropes or as derivatives. These recommendations are based on the principles established in the earlier publication and aim at the identification of a well-defined, and preferably contiguous helical pathway for numbering. Rules for systematically completing the numbering of fullerene structures for which a contiguous numbering pathway becomes discontiguous are presented.
Contents
- 1. Introduction
- 2. General Considerations on Fullerene Numbering
- 2.1. Numbering for (C60-Ih)[5,6]fullerene and (C70-D5h(6))[5,6]fullerene
- 2.1.1. Systematic numbering for (C60-Ih)[5,6]fullerene
- 2.1.2. Systematic numbering for (C70-D5h(6))[5,6]fullerene
- 3. Numbering of fullerenes other than (C60-Ih)[5,6]- and (C70-D5h(6))[5,6]-fullerene
- 3.1. Fullerenes having at least one symmetry axis (Cn, n>1) and a contiguous helical numbering pathway determined on the basis of rules Fu-3.1.1 to Fu-3.1.4.
- 3.1.1. Systematic numbering for (C20-Ih)[5]fullerene
- 3.1.2. Systematic numbering for (C24-Oh)[4,6]fullerene
- 3.1.3. Systematic numbering for (C78-C2v)[5,6]fullerene
- 3.1.4. Systematic numbering for (C48-C2)[5,6]fullerene
- 3.1.5. Systematic numbering for other fullerenes having at least one symmetry axis (Cn, n>1) and a contiguous helical numbering pathway determined on the basis of rules Fu-3.1.1 to Fu-3.1.4.
- 3.1.6. Systematic numbering for (C40-D2)[5,6]fullerene
- 3.1.7. Systematic numbering for (C76-D2)[5,6]fullerene
- 3.1.8. Systematic numbering for (C28-D2)[5,6]fullerene
- 3.1.9. Systematic numbering for (C42-D3)[5,6]fullerene
- 3.1.10. Systematic numbering for (C34-C2)[5,6]fullerene
- 3.1.11. Systematic numbering for (C78-D3)[5,6]fullerene
- 3.1.12. Systematic numbering for (C78-C2v)[5,6]fullerene
- 3.1.13. Systematic numbering for (C84-D6h)[5,6]fullerene
- 3.2. Fullerenes having at least one symmetry axis (Cn, n>1) but no contiguous helical pathway determined on the basis of rules Fu-3.1.1 to Fu-3.1.4
- 3.2.1. Systematic numbering for (C24-Oh)[3,8]fullerene
- 3.2.2. Systematic numbering for (C48-Oh)[4,6,8]fullerene
- 3.2.3. Systematic numbering for (C32-Oh)[4,6]fullerene
- 3.2.4. Systematic numbering for (C34-C2v)[4,6]fullerene
- 3.2.5. Systematic numbering for (C60-D6h)[5,6]fullerene
- 3.2.6. Systematic numbering for (C70-C2v)[5,6]fullerene
- 3.2.7. Systematic numbering for (C80-Ih)[5,6]fullerene
- 3.2.8. Systematic numbering for (C82-C3v)[5,6]fullerene
- 3.2.9. Systematic numbering for (C84-D2d)[5,6]fullerene
- 3.2.10. Systematic numbering for (C112-Td)[5,6]fullerene
- 3.2.11. Systematic numbering for (C120-Ih)[4,6,10]fullerene
- 3.3. Fullerenes belonging to the Cs point group and having a contiguous helical numbering pathway according to rules Fu-3.3.1 to Fu-3.3.4.
- 3.3.1. Systematic numbering for (C54-Cs)[5,6]fullerene
- 3.3.2. Systematic numbering for (C36-Cs)[5,6]fullerene
- 3.3.3. Systematic numbering for (C50-Cs)[5,6]fullerene
- 3.3.4. Systematic numbering for (C70-Cs)[5,6]fullerene
- 3.3.5. Systematic numbering for (C82-Cs)[5,6]fullerene
- 3.4. Fullerenes belonging to the Ci or C1 point groups and having a contiguous helical numbering pathway.
- 3.4.1. Systematic numbering for (C56-Ci)[5,6]fullerene
- 3.4.2. Systematic numbering for (C36-C1)[5,6]fullerene
- 3.4.3. Systematic numbering for (C44-C1)[5,6]fullerene
- 3.4.4. Systematic numbering for (C94-C1)[5,6]fullerene
- References
- Appendix 1 - Rules
- Appendix 2 - Flow Chart for Identification of Preferred Numbering
- Appendix 3
- Index of Fullerenes
Continued with 1. Introduction
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