Article ID Journal Published Year Pages File Type
5393962 Computational and Theoretical Chemistry 2013 39 Pages PDF
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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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