A conformational study of ethylene glycol

Ab initio calculations were performed for some different conformers of 1,2-ethanediol in order to reveal their relative energies. The equilibrium conformation is of gauche type with a comparatively weak intramolecular hydrogen bond. The energy of the all-trans conformer is 3 kcal/mol above the minim...

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Bibliographic Details
Published in:Chemical physics letters 1975-05, Vol.33 (1), p.118-120
Main Authors: Almlöf, Jan, Stymne, Hans
Format: Article
Language:English
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Summary:Ab initio calculations were performed for some different conformers of 1,2-ethanediol in order to reveal their relative energies. The equilibrium conformation is of gauche type with a comparatively weak intramolecular hydrogen bond. The energy of the all-trans conformer is 3 kcal/mol above the minimum.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(75)85466-2