Cargando…
Unveiling the non-polar [3+2] cycloaddition reactions of cyclic nitrones with strained alkylidene cyclopropanes within a molecular electron density theory study
The role of cyclopropane substitution on the ethylene in zw-type [3+2] cycloaddition (32CA) reactions of cyclic nitrones has been studied within Molecular Electron Density Theory (MEDT) at the ωB97X-D/6-311G(d,p) computational level. Electron Localization Function (ELF) analysis of the ethylenes sho...
Autores principales: | Domingo, Luis R., Ríos-Gutiérrez, Mar, Chulan, Rishikesh, Mahmoud, M. H. H., Ibrahim, Mohamed M., El-Bahy, Salah M., 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/PMC9446111/ https://www.ncbi.nlm.nih.gov/pubmed/36199340 http://dx.doi.org/10.1039/d2ra03327e |
Ejemplares similares
-
“Cyclopropylidene Effect” in the 1,3-Dipolar
Cycloaddition of Nitrones to Alkylidene Cyclopropanes: A Computational
Rationalization
por: Briccolani-Bandini, Lorenzo, et al.
Publicado: (2021) -
Theoretical studies on cycloaddition reactions
por: Rhyman, Lydia, et al.
Publicado: (2014) -
DFT exploration of [3 + 2] cycloaddition reaction of 1H-phosphorinium-3-olate and 1-methylphosphorinium-3-olate with methyl methacrylate
por: Hallooman, Dhanashree, et al.
Publicado: (2018) -
Theoretical study of the molecular aspect of the suspected novichok agent A234 of the Skripal poisoning
por: Bhakhoa, Hanusha, et al.
Publicado: (2019) -
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?
por: Savoo, Nandini, et al.
Publicado: (2022)