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Interactions of Cellulose Model Compound D-Cellobiose with Selected Metal Chlorides in Water: Identification of Chelating Oxygen Atoms
European Journal of Organic Chemistry  (IF3.021),  Pub Date : 2021-08-26, DOI: 10.1002/ejoc.202100972
Harshica Fernando, Ananda S. Amarasekara

A DFT study shows that metal ions prefer to approach between the two glucose rings in α/β-D-cellobiose while interacting/chelating with hydroxyl oxygen atoms of the disaccharide in aqueous medium. In the series of Li+, K+, Mg2+, Ca2+, Sn2+, Zn2+ and La3+ chlorides studied, ZnCl2 was identified as the most strongly interacting metal salt.