Protonation and water exchange kinetics in sandwich polyoxometalates
| Autor: | Magda Pascual-Borràs, C. André Ohlin |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Oorganisk kemi
010405 organic chemistry Chemistry protonation Kinetics Protonation Locus (genetics) Water exchange 010402 general chemistry 01 natural sciences computational chemistry 0104 chemical sciences Inorganic Chemistry Computational chemistry tungstate Teoretisk kemi Theoretical chemistry Density functional theory polyoxometalates Theoretical Chemistry density functional theory |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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