Open-shell spherical aromaticity: The 2N2 + 2N + 1 (with S = N + 1/2) rule
4N Baird's rule represented the extension of Hückel's 4N + 2 rule to triplet state systems. In this work we extend the 2(N + 1)2 Hirsch rule for spherical aromatic species to open-shell spherical compounds and we provide evidence that those spherical species having a same-spin half-filled...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2011 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:10256/11422 |
| Acceso en línea: | http://hdl.handle.net/10256/11422 |
| Access Level: | acceso embargado |
| Palabra clave: | Aromaticitat (Química) Aromaticity (Chemistry) |
| Sumario: | 4N Baird's rule represented the extension of Hückel's 4N + 2 rule to triplet state systems. In this work we extend the 2(N + 1)2 Hirsch rule for spherical aromatic species to open-shell spherical compounds and we provide evidence that those spherical species having a same-spin half-filled last energy level with the rest of the levels being fully-filled, i.e., those having 2N2 + 2N + 1 electrons and S = N +1/2 , are aromatic |
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