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À propos de : Solvent-Mediated Folding of a Doubly Charged Anion        

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  • Solvent-Mediated Folding of a Doubly Charged Anion
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  • The microsolvation of the suberate dianion, -O2C(CH2)6CO2-, with two separate charge centerswas studied by photoelectron spectroscopy and molecular dynamics simulation one solvent molecule at atime for up to 20 waters. It is shown that the two negative charges are solvated in the linear suberatealternately. As the solvent number increases, the negative charges are screened and a conformation changeoccurs at 16 waters, where the cooperative hydrogen bonding of water is large enough to overcome theCoulomb repulsion and pull the two negative charges closer through a water bridge. This conformationchange, revealed both from the experiment and from the simulation, is a manifestation of the hydrophilicand hydrophobic forces at the molecular level.
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