The hydrolysis of 1,5-gluconolactone: semi-empirical methods and 13C NMR confirmation
Combs, Bradley S. Carper, W. Robert Steward, J.J.P.
Combs, Bradley S.
Carper, W. Robert
Steward, J.J.P.
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1992-06-22
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Bradley S. Combs, W.Robert Carper, J.J.P. Steward,The hydrolysis of 1,5-gluconolactone: semi-empirical methods and 13C NMR confirmation,Journal of Molecular Structure: THEOCHEM,Volume 258, Issues 3–4,1992,Pages 235-241,ISSN 0166-1280,https://doi.org/10.1016/0166-1280(92)85066-T.
Abstract
The hydrolysis of 1,5-gluconolactone is investigated by semi-empirical (MNDO-PM3) methods and 13C NMR spectroscopy. The theoretical methods predict acyl-oxygen scission at C1 as the preferred point of hydrolytic attack. This result is confirmed by a 13C NMR study using H218O. © 1992.
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Elsevier
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Computational and Theoretical Chemistry
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01661280