Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5393962 | Computational and Theoretical Chemistry | 2013 | 39 Pages |
Abstract
The stereoelectronic interactions originating from the hyperconjugation and coulomb energies and also the conformational and structural properties of 2-hydroxypiperidine have been investigated using both ab initio MO and DFT methods. The results showed that the conformational preference is better interpreted in terms of electrostatic interactions and steric effects, rather than hyperconjugation or anomeric effects.
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Physical and Theoretical Chemistry
Authors
Alireza Zeinalinezhad, Riadh Sahnoun, Madzlan Aziz,