On the Structure of Lead(II) Complexes in Aqueous Solutions. III. Hexanuclear Clusters

Abstract

Optimum geometries based on experimental structures and corresponding electronic structures of [Pb6(μ3-OH)8]4+ and [Pb6O(μ3-OH)6]4+ clusters as well as of their hydrated [Pb6(μ3-OH)8(H2O)6]4+ and [Pb6O(μ3-OH)6(H2O)6]4+ analogues are investigated using the semiempirical MNDO method of quantum chemistry. Direct Pb-Pb and O-O bonds are vanishing in the systems under study. Small differences in interatomic Pb-Pb and Pb-O distances between these clusters indicate that they cannot be distinguished by recent experimental techniques in solution. Both the mentioned structures are stable and might coexist in solution.