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Proceedings Paper

Isomerization and fission of highly charged C60
Author(s): Nikolai A. Poklonski; Eugene F. Kislyakov; Oleg N. Bubel; Sergey A. Vyrko
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Paper Abstract

We have carried out semiempirical molecular orbital calculations of C Z+/60 cations and their elongated isomers-C20+40 barrelenes. The highest possible metastable charge state of a fullerene ion was found to be C 14+/60. For this charge state the lowest energy isomer is not a spherical buckyball, but an elongated barrelene. For Z≥8, the fission channels C Z+/20+40 - C (Z-2)+/20+20 + C 2+/20 are open, the energy difference between fullerene and barrelene isomers being less than 10 eV. We have calculated the energy releases in this type of fission reactions for positive charge states of barrelenes Z=8,10,12,14 and dissociation energy thresholds for Z=4,6. The reaction coordinate calculations of C 6+/20+40 - C 4+/20+20 + C 2+/20 fission and estimate of fission Coulomb barrier have been done.

Paper Details

Date Published: 2 August 2004
PDF: 8 pages
Proc. SPIE 5509, Nanomodeling, (2 August 2004); doi: 10.1117/12.557525
Show Author Affiliations
Nikolai A. Poklonski, Belarus State Univ. (Belarus)
Eugene F. Kislyakov, Belarus State Univ. (Belarus)
Oleg N. Bubel, Belarus State Univ. (Belarus)
Sergey A. Vyrko, Belarus State Univ. (Belarus)


Published in SPIE Proceedings Vol. 5509:
Nanomodeling
Akhlesh Lakhtakia; Sergey A. Maksimenko, Editor(s)

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