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Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
| ABSTRACT - Internet Electron. J. Mol. Des. July 2003, Volume 2, Number 7, 492-498 |
Kinetic Instability of Neutral and Charged Fullerenes with Four-Membered Rings
Jun-ichi Aihara
Internet Electron. J. Mol. Des. 2003, 2, 492-498
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Abstract:
The kinetic instability of neutral and charged fullerenes was estimated with good accuracy by
the bond resonance energy (BRE) model. Classical fullerenes with or without adjacent
pentagons are stabilized kinetically by acquiring two or more electrons. However, the
same is not true for fullerenes with one four-membered ring. Such non-classical fullerene
isomers are predicted to be very reactive even if they carry large negative charge. It must
be difficult for such fullerenes to form kinetically stable metallofullerenes.
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