Cis/Trans Energetics in Epoxide, Thiirane, Aziridine and Phosphirane Containing Cyclopentanols: Effects of Intramolecular OH⋯O, S, N and P Contacts

A recent computational analysis of the stabilizing intramolecular OH⋯O contact in 1,2-dialkyl-2,3-epoxycyclopentanol diastereomers has been extended to thiiriane, aziridine and phosphirane analogues. Density functional theory (DFT), second-order Møller-Plesset perturbation theory (MP2) and CCSD(T) c...

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Detalles Bibliográficos
Autores principales: Smith, Ben E., Carr, Jeremy M., Tschumper, Gregory S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680949/
https://www.ncbi.nlm.nih.gov/pubmed/31295845
http://dx.doi.org/10.3390/molecules24142523

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680949/
https://www.ncbi.nlm.nih.gov/pubmed/31295845
http://dx.doi.org/10.3390/molecules24142523

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