Collect. Czech. Chem. Commun. 1995, 60, 527-536
https://doi.org/10.1135/cccc19950527

On the Structure of Lead(II) Complexes in Aqueous Solutions. I. Trinuclear Clusters

Martin Brezaa and Alena Manováb

a Department of Chemical Physics, Slovak Technical University, 812 37 Bratislava, Slovak Republic
b Department of Analytical Chemistry, Slovak Technical University, 812 37 Bratislava, Slovak Republic

Abstract

Using semiempirical MNDO method of quantum chemistry the optimal geometries and corresponding electronic structures of [Pb3(OH)n]6-n model systems as well as of their hydrated [Pb3(OH)n(H2O)8-n]6-n analogues (n = 4, 5) are investigated. The most stable trinuclear lead(II) complexes present in aqueous solutions correspond to cyclo-(μ3-OH)(μ2-OH)3Pb32+, Pb(μ-OH)2Pb(μ-OH)2Pb2+, cyclo-(μ3-OH)22-OH)3Pb3+, Pb(OH)(μ-OH)2Pb(μ-OH)Pb(OH)+ and Pb(OH)(μ-OH)2Pb(μ-OH)2Pb+ systems. The key role of OH bridges (by vanishing direct Pb-Pb bonds) on the stability of individual isomers is discussed.