Abstract
The solvent effects on the relative free energies of binding of Gd 3+ and Yb 3+ ions to 18-crown-6 and Δ log K s (the difference of stability constant of binding) have been investigated by a Monte Carlo simulation of statistical perturbation theory (SPT) in diverse solvents. The relative free energies of binding of Gd 3+ and Yb 3+ ions to 18-crown-6, in CH 3OH of this study agree well with the experimental results and simulation works. We reported here a new the quantitative solvent-polarity relationships (QSPR) as the multi-parameter regression approach study in the solvent effects on the relative free energies of binding of Gd 3+ and Yb 3+ ions to 18-crown-6 and the structural data of those complexes.
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