Interpretation of activation volumes for water exchange reactions revisited: Ab initio calculations for Al3+
, and In3+
, and new experimental data
Rates of water exchange (k298) for spherically symmetric metal ions can be simulated by ab initio calculations, and are influenced by the size of the metal ion (ri) and overall charge of the aqua complex (Z). For these aquated ions where ligand-field effects are not operable, there exists a linear relationship between log rate constant for water exchange and charge-to-radius ratio (Z/ri) of the complex/metal ion.
Kowall, T; Caravan, P; Bourgeois, H; Helm, L; Rotzinger, FP; Merbach, AE
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