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Facilitated inversion complicates the stereodynamics of an S(N)2 reaction at nitrogen center
Bimolecular nucleophilic substitution (S(N)2) reactions at carbon center are well known to proceed with the stereospecific Walden-inversion mechanism. Reaction dynamics simulations on a newly developed high-level ab initio analytical potential energy surface for the F(−) + NH(2)Cl nitrogen-centered...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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The Royal Society of Chemistry
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179618/ https://www.ncbi.nlm.nih.gov/pubmed/34168784 http://dx.doi.org/10.1039/d1sc00490e |