Bašić, N., Brinkmann, G., Fowler, P.W. et al. (2 more authors) (2017) Sizes of pentagonal clusters in fullerenes. Journal of Mathematical Chemistry, 55 (8). pp. 1669-1682. ISSN 0259-9791
Abstract
Stability and chemistry, both exohedral and endohedral, of fullerenes are critically dependent on the distribution of their obligatory 12 pentagonal faces. It is well known that there are infinitely many IPR-fullerenes and that the pentagons in these fullerenes can be at an arbitrarily large distance from each other. IPR-fullerenes can be described as fullerenes in which each connected cluster of pentagons has size 1. In this paper we study the combinations of cluster sizes that can occur in fullerenes and whether the clusters can be at an arbitrarily large distance from each other. For each possible partition of the number 12, we are able to decide whether the partition describes the sizes of pentagon clusters in a possible fullerene, and state whether the different clusters can be at an arbitrarily large distance from each other. We will prove that all partitions with largest cluster of size 5 or less can occur in an infinite number of fullerenes with the clusters at an arbitrarily large distance of each other, that 9 partitions occur in only a finite number of fullerene isomers and that 15 partitions do not occur at all in fullerenes.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © Springer International Publishing Switzerland 2017. This is an author produced version of a paper subsequently published in Journal of Mathematical Chemistry. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | Fullerene; Patch Distance; Pentagonal incidence partition |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield) |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 07 Jun 2017 11:14 |
Last Modified: | 03 Aug 2023 13:05 |
Status: | Published |
Publisher: | Springer Verlag |
Refereed: | Yes |
Identification Number: | 10.1007/s10910-017-0754-8 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:117224 |