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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...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Beilstein-Institut
2013
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3678587/ https://ncbi.nlm.nih.gov/pubmed/23766792 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.9.90 |
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