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

This article is part of serial On the structure of lead(II) complexes in aqueous solutions.

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)2(μ2-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.