Kinetic stability of carbon cages in non-classical metallofullerenes

Charged carbon cages in isolable metallofullerenes are kinetically stable with a minimum bond resonance energy ( min BRE )>−0.100 | β| . Charged carbon cages with adjacent pentagons in recently isolated non-classical metallofullerenes, Sc 2@C 66 and Sc 3N@C 68, are not exceptions. In fact, many m...

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Bibliographic Details
Published in:Chemical physics letters 2001-08, Vol.343 (5), p.465-469
Main Author: Aihara, Jun-ichi
Format: Article
Language:English
Subjects:
Atomic and molecular clusters
Atomic and molecular physics
Exact sciences and technology
Physics
Stability and fragmentation of clusters
Studies of special atoms, molecules and their ions
clusters
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Summary:Charged carbon cages in isolable metallofullerenes are kinetically stable with a minimum bond resonance energy ( min BRE )>−0.100 | β| . Charged carbon cages with adjacent pentagons in recently isolated non-classical metallofullerenes, Sc 2@C 66 and Sc 3N@C 68, are not exceptions. In fact, many molecular anions of fullerenes with adjacent pentagons have a large negative min BRE. Nature seems to choose carbon cages from among a small number of kinetically stable fullerene molecular anions with adjacent pentagons to design isolable non-classical metallofullerenes. There is no doubt that the isolated pentagon rule cannot be applied to charged fullerenes.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(01)00719-9