On the lack of ring-current aromaticity of (heteroatom) [N]radialenes and their dianions.
Current-density maps, calculated at the ab initio RHF//6-31G**/CTOCD-DZ level, show no significant pi ring current in planar equilateral geometries of neutral and dianionic [N]radialenes, oxocarbons and thiocarbons C(N)Y(N) (q-) (Y=CH(2), O, S; N=4, 5, 6; q=0 (1 a-12 a), 2 (1 b-12 b)). Only the N=3...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2007
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