Conformational Flexibility in Hydrated Sugars: The Glycolaldehyde-Water Complex - CNRS - Centre national de la recherche scientifique Accéder directement au contenu
Article Dans Une Revue Journal of the American Chemical Society Année : 2006

Conformational Flexibility in Hydrated Sugars: The Glycolaldehyde-Water Complex

Résumé

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.
Fichier principal
Vignette du fichier
GA_W_Rev.pdf (6.83 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-03807933 , version 1 (10-10-2022)

Identifiants

  • HAL Id : hal-03807933 , version 1

Citer

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⟩
8 Consultations
28 Téléchargements

Partager

Gmail Facebook X LinkedIn More