Thermodynamic radii of lanthanide ions derived from metal–ligand complexes stability constantsстатья
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Дата последнего поиска статьи во внешних источниках: 26 августа 2020 г.
Аннотация:Here, we describe two sets of thermodynamic ionic radii (r1 and r2) of lanthanideions derived from the analysis of large set of the stability constants log β1 and log β2of the ML and ML2 complexes of lanthanide ions M (from Ce3+ to Lu3+) withorganic ligands (L) in water. It has been demonstrated that the stability constants oftwo metals Mi and Mj with a given ligand L are related by simple equations logβ1j = r1i/r1j.logβ1i and logβ2j = r2i/r2j.logβ2i whichformally correspond to purely electrostatic interactions between spherical cations withorganic molecule. Predictive performance of these equations was assessed in 5-foldcross-validation procedure. The standard deviation (s) of predictions varies from 0.3to 1.0 for log β 1 and from 0.4 to 1.2 for logβ2 as a function of the difference ofShannon ionic radii (Δrij ) of Mi and Mj: s1 = 0.27 + 4.25Δrij for log β1and s2 = 0.39 + 5.16Δrij for logβ2. The new radii r1 and r2 steadilydecrease across the Ln series, i.e., they follow the same trend as Shannon effectiveradii of lanthanide ions. The calculations were performed using experimental data on2854 log β1 values for 445 organic ligands and 947 log β2 values for 156 organicligands in the complexes with 13 metals.