Issue 4, 2001
From the journal:

Journal of the Chemical Society, Perkin Transactions 2

Stabilisation of pentagon adjacencies in the lower fullerenes by functionalisation

Patrick W. Fowlera  and  Thomas Heineb  

a University of Exeter, School of Chemistry, Stocker Road, Exeter, UK

b Department of Physical Chemistry, University of Geneva, 30 Quai Ernest-Ansermet, Geneva, Switzerland

Abstract

Relative stabilities are calculated with the density-functional based tight-binding method for all isomers C36H2x (x = 1, 2, 3) based on the two C36 classical fullerenes with minimal pentagon adjacencies. Preferential addition at pentagon junctions leads to low-energy candidates for C36H4 and C36H6 based on the sixfold-symmetric cylindrical C36 fullerene cage, 36 ∶ 15.

Graphical abstract: Stabilisation of pentagon adjacencies in the lower fullerenes by functionalisation

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Article information

DOI
https://doi.org/10.1039/B009370J
Article type
Paper
Submitted
22 Nov 2000
Accepted
09 Feb 2001
First published
12 Mar 2001

J. Chem. Soc., Perkin Trans. 2, 2001, 487-490

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Stabilisation of pentagon adjacencies in the lower fullerenes by functionalisation

P. W. Fowler and T. Heine, J. Chem. Soc., Perkin Trans. 2, 2001, 487 DOI: 10.1039/B009370J

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