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Conformational Flexibility in Hydrated Sugars: The Glycolaldehyde-Water Complex

Abstract : Conformational flexibility in the smallest hydrated sugar − the glycolaldehyde-water complex − has been investigated in the gas phase by means of a combination of a microwave Fourier transform spectroscopy experiment in a supersonic molecular beam, and ab initio quantum chemistry calculations. The water molecule inserts into glycolaldehyde using H-bonding selectivity: the two lowest energy conformations are stabilized by two intermolecular hydrogen bonds, and the next two by one intra-plus one inter-molecular hydrogen bonds. A dynamical flexibility associated with the two lowest energy conformations has been experimentally observed, and accurately modeled with a two dimensional potential energy surface involving the hydroxyl group and the free OH water group 2 coordinates. The conclusions drawn from the role played in the conformational flexibility by the hydroxyl and carbonyl groups are extended to other carbohydrates and biomolecules.
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Submitted on : Monday, October 10, 2022 - 11:25:03 AM
Last modification on : Tuesday, November 22, 2022 - 2:26:15 PM


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  • HAL Id : hal-03807933, version 1



Juan-Ramon Aviles-Moreno, Jean Demaison, Thérèse R Huet. Conformational Flexibility in Hydrated Sugars: The Glycolaldehyde-Water Complex. Journal of the American Chemical Society, 2006. ⟨hal-03807933⟩



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