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Computational Study of Electron Delocalization in Hexaarylbenzenes
A number of hexaarylbenzene compounds were studied theoretically, in order to compare energy changes as a result of the toroidal delocalization effect that is characteristic of all these species. The energy was studied taking advantage of locally designed isodesmic reactions. Results indicate that t...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6271654/ https://www.ncbi.nlm.nih.gov/pubmed/24642912 http://dx.doi.org/10.3390/molecules19033274 |