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Utilizing the σ-complex stability for quantifying reactivity in nucleophilic substitution of aromatic fluorides
A computational approach using density functional theory to compute the energies of the possible σ-complex reaction intermediates, the “σ-complex approach”, has been shown to be very useful in predicting regioselectivity, in electrophilic as well as nucleophilic aromatic substitution. In this articl...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Beilstein-Institut
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3678587/ https://www.ncbi.nlm.nih.gov/pubmed/23766792 http://dx.doi.org/10.3762/bjoc.9.90 |