Stability of all molecular ions conceivable for C60 and C70

被引：29

作者：

Aihara, J ^{[1
]}

机构：

[1] Shizuoka Univ, Fac Sci, Dept Chem, Shizuoka 4228529, Japan

[2] Shizuoka Univ, Informat Proc Ctr, Oya, Shizuoka 422, Japan

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1998年 / 94卷 / 24期

关键词：

D O I：

10.1039/a806594b

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：

Topological resonance energies (TREs) and bond resonance energies (BREs) were calculated for all conceivable molecular ions of C-60 (I-h and C-70 (D-5h). On this basis these fullerenes were predicted to be thermodynamically and 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. Thus, the variation of the total charge markedly affects the stability of fullerenes.

引用

页码：3537 / 3540

页数：4

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