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Alain Chaumont and Georges Wipff Interactions between Keggin Anions in Water: The Higher Their Charge, the Higher Their Condensation? A Simulation Study European Journal of Inorganic Chemistry 2013

Article first published online: 29 OCT 2012 | DOI: 10.1002/ejic.201200883

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In water, [AlW12O40]5– anions are shown to form dimers and oligomers by a higher amount than their less charged [PW12O40]3– or [SiW12O40]4– analogues. This counterintuitive feature is due to specific counterion condensation onto the most charged dimers. Microscopic insights into the effects of anion granularity, sign of the charge, concentration, counterions, and solvation are presented.

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