Energetics of fullerene isomer transformation

Bernd R. Eggen*, Christopher D. Latham, Malcolm I. Heggie, Bob Jones, Patrick R. Briddon

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)


Stone-Wales transformations are thought to be the most likely route for fullerene isomer interconversion. Several prototype reactions are investigated using local density functional theory on C60Hm (m = 0, 1, 2) and C61 clusters. Transition state energies and geometries are calculated. Adding hydrogen or carbon atoms to C60 is found to catalyse the transformations.

Original languageEnglish
Pages (from-to)165-168
Number of pages4
JournalSynthetic Metals
Issue number1-3
Publication statusPublished - Feb 1996
Externally publishedYes

Bibliographical note

Funding Information:
The authors would like to acknowledge support from EPSRC (UK Engineering and Physical Sciences Research Council) Grants H62893, AF/1221, H95556, K28350, and the High Performance Computing Initiative (Consortium e6). B.R.E. also wishes to acknowledge equipment support from the Royal Society of Great Britain (Grant 574005.G501).


  • Fullerene
  • Isomer transformations


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