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Anomalous effect of non-alternant hydrocarbons on carbocation and carbanion electronic configurations
Carbocations are widely viewed to be closed-shell singlet electrophiles. Here, computations show that azulenyl-substituted carbocations have triplet ground states. This triplet ground state for azulenyl carbocations stands in striking contrast to the isomeric naphthenyl carbocation, which is a norma...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5902794/ https://www.ncbi.nlm.nih.gov/pubmed/29719673 http://dx.doi.org/10.1039/c7sc01047h |