Cyclic carbon cluster dianions and their aromaticity

被引:9
作者
Feuerbacher, S [1 ]
Dreuw, A [1 ]
Cederbaum, LS [1 ]
机构
[1] Heidelberg Univ, Inst Chem Phys, D-69120 Heidelberg, Germany
关键词
D O I
10.1021/ja0123002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Cyclic carbon cluster dianions (CC2)(n)(2-) (n = 3-6) are investigated by ab initio methods with regard to their geometric properties, electronic stability, and aromaticity. The unique wheel-like structures of these dianions consist of a n-membered carbon ring, where a C-2 unit is attached to each carbon atom. All investigated dianions represent stable gas-phase dianions. While the smallest member of this family (CC2)(3)(2-) is clearly aromatic, the aromatic character decreases rapidly with increasing ring size. The geometries and the aromaticity of the cyclic clusters (CC2)(n)(2-) (n = 3-6) can be nicely explained using resonance structure arguments.
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收藏
页码:3163 / 3168
页数:6
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