Electrotopological state modeling of stability constants of binary and ternary copper(II) complexes with alpha-amino acids

摘要

The second stepwise formation constants of binary and ternary copper(II) complexes with alpha-amino acidate ligands are modeled by using four-descriptor sets consisting of three indexes defined as linear combinations of the E-states of some skeletal groups of the different species involved in the formation equilibria, and the logarithm of the statistical factor. Hydrophobicity and basicity properties of the ligands are also described. Results indicate that both hydrophobic interactions and ligand basicities, as differential factors over the sequence of copper(II) complexes, would operate mainly through changes in the stability of the copper(II)carboxylate bonds.