Valencies of a small fullerene: Structures and energetics of C 24 H 2m

P. W. Fowler, T. Heine, A. Troisi

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

Construction of all 352786 possible addition patterns C24H2m and optimisation with the density-functional-based tight-binding model is used to deduce that the C24 fullerene has an effective valence of 12. The optimal structure of C24H12 has an equatorial ring of 12 sp3 sites and is reachable by a pathway involving cumulative addition to low-energy isomers.

Original languageEnglish
Pages (from-to)77-84
Number of pages8
JournalChemical Physics Letters
Volume312
Issue number2-4
DOIs
Publication statusPublished - 1999 Oct 22

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Valencies of a small fullerene: Structures and energetics of C <sub>24</sub> H <sub>2m</sub>'. Together they form a unique fingerprint.

  • Cite this