<i>Cis/Trans</i> 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...
Main Authors: | Ben E. Smith, Jeremy M. Carr, Gregory S. Tschumper |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2019-07-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/24/14/2523 |
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