Protonation and water exchange kinetics in sandwich polyoxometalates†
Abstract
Density functional theory is used to explore the locus and consequences of protonation in [Zn4(HO)2(PW9O34)2]10−. The results are used to explain recent observations regarding the contrasting pH effects on the water-ligand exchange in [Mn4(H2O)2(P2W15O56)2]16− and [Co4(H2O)2(P2W15O56)2]16−, and the general effect of protonation on solvent exchange in metal oxides is discussed.