Theoretical Study of 3,6Cyclohemiketal Form of L-Ascorbic AcidReport as inadecuate

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Croatica Chemica Acta, Vol.64 No.3 December 1991. -

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.

Author: M. Eckert-Maksić - ; Ruđer Bošković Institute, Zagreb, Croatia M. Hodošček - ; Boris Kidrič Institute, Ljubljana, Slovenia



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