Cargando…
Theoretical study of a derivative of chlorophosphine with aliphatic and aromatic Grignard reagents: S(N)2@P or the novel S(N)2@Cl followed by S(N)2@C?
The proposed S(N)2 reactions of a hindered organophosphorus reactant with aliphatic and aromatic nucleophiles [Ye et al., Org. Lett., 2017, 19, 5384–5387] were studied theoretically in order to explain the observed stereochemistry of the products. Our computations (using B3LYP as the functional) ind...
Autores principales: | Savoo, Nandini, Rhyman, Lydia, Ramasami, Ponnadurai |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8985194/ https://www.ncbi.nlm.nih.gov/pubmed/35424871 http://dx.doi.org/10.1039/d2ra00258b |
Ejemplares similares
-
Computational study of the interaction of the psychoactive amphetamine with 1,2-indanedione and 1,8-diazafluoren-9-one as fingerprinting reagents
por: Bhikharee, Divya, et al.
Publicado: (2023) -
A theoretical study of the hydrolysis mechanism of A-234; the suspected novichok agent in the Skripal attack
por: Imrit, Yadhav A., et al.
Publicado: (2020) -
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning
por: Bhakhoa, Hanusha, et al.
Publicado: (2019) -
Spectroscopic, DFT, and XRD Studies of Hydrogen Bonds in N-Unsubstituted 2-Aminobenzamides
por: Mphahlele, Malose Jack, et al.
Publicado: (2017) -
Theoretical studies on cycloaddition reactions
por: Rhyman, Lydia, et al.
Publicado: (2014)