Kinetic stability of C78 fullerene isomers as revealed by the bond resonance energy method
✍ Scribed by Jun-Ichi Aihara; Atsushi Sakurai
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 212 KB
- Volume
- 74
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
✦ Synopsis
Relative yields of C fullerene isomers are very sensitive to He pressure 78 in the graphite vaporization chamber. This phenomenon can be explained in terms of the Ž . bond resonance energy BRE , a measure of kinetic stability proposed by us. It was found that the thermodynamically most stable isomer of C is not kinetically very stable. 78 Consequently, when He pressure is low, kinetically more stable isomers, rather than the lowest-energy isomer, have a larger chance of survival. At higher He pressure, the lowest-energy isomer is generated preferentially and so will earn a large chance of isolation. Thus, kinetic stability has a crucial influence on the yield of the various isomers in the product. A small HOMO᎐LUMO gap is closely related to the existence of highly reactive substructures in the molecule