Planar rearrangements of fullerenes
A notion of planar rearrangement of fullerenes is proposed as a general framework for all conceivable rearrangements of fullerenes satisfying a minimum physicochemical condition. The planar rearrangement is defined as an edge relocation such that the planarity of a given Schlegel diagram remains und...
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Veröffentlicht in: | Journal of molecular graphics & modelling 2001-01, Vol.19 (2), p.210-215 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | A notion of planar rearrangement of fullerenes is proposed as a general framework for all conceivable rearrangements of fullerenes satisfying a minimum physicochemical condition. The planar rearrangement is defined as an edge relocation such that the planarity of a given Schlegel diagram remains undisturbed. Graph-theoretical properties of planar rearrangements are discussed and characteristics for establishing a hierarchy between them are pointed out. A number of graph-theoretical concepts have been introduced to provide means for classification and systematic generation of fullerene rearrangements. The simpliest nontrivial rearrangements is shown to be the Stone–Wales rearrangement. © 2001 by Elsevier Science Inc. |
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ISSN: | 1093-3263 1873-4243 |
DOI: | 10.1016/S1093-3263(00)00114-5 |