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Interactions between Keggin Anions in Water: The Higher Their Charge, the Higher Their Condensation? A Simulation Study (Eur. J. Inorg. Chem. 10‐11/2013)
Author(s) -
Chaumont Alain,
Wipff Georges
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201390042
Subject(s) - chemistry , counterion , aqueous solution , ion , adsorption , condensation , graphite , charge density , chemical physics , crystallography , inorganic chemistry , organic chemistry , thermodynamics , physics , quantum mechanics
The front cover picture shows (top left) a snapshot of a simulated box of water containing [AlW 12 O 40 ] 5– POM anions and their H 3 O + counterions, forming local aggregates (zoomed). Indeed, the free energy profile ΔG( d ) calculated as a function of the POM ··· POM distance in water (top right) displays a minimum for the “contact” like‐anion pair, corresponding to a high density of bridging counterions (inset, left). POMs also adsorb at the aqueous interface with graphite (bottom). The background is an extended view of the solution. Details are discussed in the article by G. Wipff and A. Chaumont on p. 1835 ff .