Browsing by Autor "Ingrid Lessa Leal"

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    Toward the origin of the conformational preference of 2-methoxyoxane, a model useful to study the anomeric effect
    (ARKAT USA, Inc., 2003) Karina D. Martínez; Fernando Cortés‐Guzmán; Ingrid Lessa Leal; Vanessa Reyna; Delia Quintana‐Zavala; Sandra Antúnez; Gabriel Cuevas
    The potential energy curves resulting from the C 2 -O exo bond rotation of 2-OMeOxane were calculated. One minimum was found for the axial conformer at MP2/6-31G(d,p); B3LYP/6-31G(d,p); and HF/6-31G(d,p) levels, and two minima in the equatorial conformer. The difference in the entropy of mixing between both conformers has a positive value, close to zero, which means that the entropy is higher for the equatorial conformer. The Scheme of rotation of the methoxy group at position 2 of oxane with six conformers, usually employed to describe this conformational process, is inadequate.