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Chlorofullerenes featuring triple sequentially fused pentagons
- Source :
- Nature Chemistry. 2:269-273
- Publication Year :
- 2010
- Publisher :
- Springer Science and Business Media LLC, 2010.
-
Abstract
- The triple sequentially fused pentagons (TSFP) motif is one of the basic subunits that could be used for constructing fullerenes, but it violates the isolated pentagon rule (IPR) and has not been found in carbon cages to date. The properties of TSFP-incorporating fullerenes are thus poorly explored both theoretically and experimentally. Reported herein are four chlorinated derivatives of three different fullerene cages, all with the TSFP motif. X-ray crystallographic analyses indicate that the molecular strain inherent to the pentagon adjacency of a TSFP is significantly relieved upon exohedral chlorination, leaving one of the four pentagon fusion sites unsaturated and rendering the present derivatives chiral. This unique reactivity, in stark contrast to that of previously reported non-IPR fullerenes containing double fused pentagons or triple directly fused pentagons, can be rationalized by density functional theory calculations, and are expected to stimulate further studies of these new members of the fullerene family, both theoretically and experimentally.
- Subjects :
- Pentagon
Crystallography
Fullerene derivatives
Fullerene
Chemistry
Mathematics::Category Theory
General Chemical Engineering
Mathematics::History and Overview
Physics::Atomic and Molecular Clusters
Mathematics::Metric Geometry
Nanotechnology
General Chemistry
Computer Science::Computational Geometry
Subjects
Details
- ISSN :
- 17554349 and 17554330
- Volume :
- 2
- Database :
- OpenAIRE
- Journal :
- Nature Chemistry
- Accession number :
- edsair.doi.dedup.....3a56c784109717ce2ad70db05c2888c4