Cyclic carbon cluster dianions and their aromaticity.
Cyclic carbon cluster dianions (CC(2))(2-)(n)(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 (CC(2))(2-)(3) is clearly aromatic, the aromatic character decreases rapidly with increasing ring size. The geometries and the aromaticity of the cyclic clusters (CC(2))(2-)(n)(n = 3-6) can be nicely explained using resonance structure arguments.
Feuerbacher
Sven
S
Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany. Sven.Feuerbacher@tc.pci.uni-heidelberg.de
Dreuw
Andreas
A
Cederbaum
Lorenz S
LS