Paper on protonation in Anderson-type POMs published in Inorganic Chemistry

Direct Single- and Double-Side Triol-Functionalization of the Mixed Type Anderson Polyoxotungstate [Cr(OH)3W6O21]6–”

in Inorganic Chemistry, 2019, 58(1), 106-113. Link

Nadiia I. Gumerova, Tania Caldera Fraile, Alexander Roller, Gerald Giester, Magda Pascual-Borràs, C. André Ohlin, and Annette Rompel

Abstract: Since the first successful triol-functionalization of the Anderson polyoxometalates, the protons of the central octahedron X(OH)6 (X—heteroatom) have been considered as a prerequisite for their functionalization and therefore the functionalization of Anderson structures from the unprotonated sides have never been reported. Herein, for the first time, we organically functionalized the mixed-type Anderson polyoxometalate with real-time observation of hybrid anion formation.

Paper on protonation in polyoxomelates accepted by Dalton Transactions

“Protonation and water exchange kinetics in sandwich polyoxometalates”

in Dalton Transactions, 2018, 47, 13602-13607. Link.

C. André OhlinMagda Pascual-Borràs

Abstract: Density functional theory is used to explore the locus and consequences of protonation in [Zn4(H2O)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.