Structural, Electronic, Reactivity, and Conformational Features of 2,5,5-Trimethyl-1,3,2-diheterophosphinane-2-sulfide, and Its Derivatives: DFT, MEP, and NBO Calculations

In this study, we used density functional theory (DFT) and natural bond orbital (NBO) analysis to determine the structural, electronic, reactivity, and conformational features of 2,5,5-trimethyl-1,3,2-di-heteroatom (X) phosphinane-2-sulfide derivatives (X = O (compound 1), S (compound 2), and Se (co...

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Detalles Bibliográficos
Autores principales: Masnabadi, Nasrin, Thalji, Mohammad R., Alhasan, Huda S., Mahmoodi, Zahra, Soldatov, Alexander V., Ali, Gomaa A. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268642/
https://www.ncbi.nlm.nih.gov/pubmed/35807257
http://dx.doi.org/10.3390/molecules27134011

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268642/
https://www.ncbi.nlm.nih.gov/pubmed/35807257
http://dx.doi.org/10.3390/molecules27134011

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