Original scientific paper

Theoretical Study of (3,6)Cyclohemiketal Form of L-Ascorbic Acid

M. Eckert-Maksić ; Ruđer Bošković Institute, Zagreb, Croatia
M. Hodošček ; Boris Kidrič Institute, Ljubljana, Slovenia
G. Fodor ; Department of Chemistry, West Virginia University, Morgantown, WV 26506-6045, USA

Abstract

The question of the stability of the bicyclic form of AA is addressed by several theoretical methods varying in the level of sophistication. Both semi- empirical and ab initio approaches indicate that the bicyclic form is somewhat more stable than the 2,3-enediol tautomer (7). However, the tautomer I has a significantly higher dipole moment indicating that it gains additionally in stability if dissolved in polar solvents due to strong electrostatic solvent-solute interactions.

Keywords

Hrčak ID:

137336

URI

https://hrcak.srce.hr/137336

Publication date:

31.12.1991.

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