Stability of all molecular ions conceivable for C-60 and C-70

Authors
Aihara, J
Citation
J. Aihara, Stability of all molecular ions conceivable for C-60 and C-70, J CHEM S F, 94(24), 1998, pp. 3537-3540
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS
ISSN journal
09565000 → ACNP
Volume
94
Issue
24
Year of publication
1998
Pages
3537 - 3540
Database
ISI
SICI code
0956-5000(199812)94:24<3537:SOAMIC>2.0.ZU;2-W
Abstract
Topological resonance energies (TREs) and bond resonance energies (BREs) we re calculated for all conceivable molecular ions of C-60 (I-h and C-70 (D-5 h). On this basis these fullerenes were predicted to be thermodynamically a nd kinetically stable only when they carry total charges of 0 down to -12. This prediction is fully consistent with the chemistry of C-60 and C-70. Th us, the variation of the total charge markedly affects the stability of ful lerenes.