Cyclic Carbon Cluster Dianions and Their Aromaticity
β Scribed by Feuerbacher, Sven; Dreuw, Andreas; Cederbaum, Lorenz S.
- Book ID
- 126854133
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 76 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0002-7863
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π SIMILAR VOLUMES
## Abstract Currentβdensity maps, calculated at the ab initio RHF//6β31G\*\*/CTOCDβDZ level, show no significant Ο ring current in planar equilateral geometries of neutral and dianionic [__N__]radialenes, oxocarbons and thiocarbons C~__N__~Y~__N__~^__qβ__^ (Y=CH~2~, O, S; __N__=4, 5, 6; __q__=0 (1β
Coulombic repulsion in four membered ring dications and dianions is more important than HUckel aromaticity and leads to a preference for Y-delocalized isomers with more favorable n charge distributions. The most significant advances in the history of organic chemistry include the concept of cyclic a