Studies on quantitative structure-property relationship of lanthanide metal ions using an artificial neural network

Systematical studies were made on the influencing factors concerned to the complexation, hydration, etc of lanthanide metal ions. A set of parameters such as ionic radii, electronegativity, base state L values, and periodic f actors, defined in this work, were used to nonlinearly correlate the stabil ity constants lgK of EDTA, NTA and HTTA complexes, hydration energy DeltaH, hydrolysis constants pK(1) and pK(m) of hydroxides of the lanthanide metal ions with the functional-link net(FLN). The obtained results are satisfact ory, and better than that obtained by using linearly statistic method. Some of the absent constants values were predicted by FLN.