Kinetic stability of carbon cages in non-classical metallofullerenes

被引:68
作者
Aihara, J [1 ]
机构
[1] Shizuoka Univ, Fac Sci, Dept Chem, Shizuoka 4228529, Japan
关键词
D O I
10.1016/S0009-2614(01)00719-9
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Charged carbon cages in isolable metallofullerenes are kinetically stable with a minimum bond resonance energy (min BRE) > -0.100 \ beta \. Charged carbon cages with adjacent pentagons in recently isolated non-classical metallofullerenes, Sc-2@C-66 and Sc3N@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. (C) 2001 Elsevier Science B.V. All rights reserved.
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页码:465 / 469
页数:5
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