Collect. Czech. Chem. Commun. 2008, 73, 59-72

On the Structure of Tri- and Tetrahydroxolead(II) Complex Anions

Stanislava Šoralová and Martin Breza*

Department of Physical Chemistry, Slovak Technical University, SK-812 37 Bratislava, Slovakia


Optimal geometries and corresponding electronic structures of various [Pb(OH)3]- and [Pb(OH)4]2- conformational isomers are investigated by the B3LYP and MP2 treatments. Unlike highly symmetric [Pb(OH)3]- structure (C3 symmetry), the most stable [Pb(OH)4]2- conformational isomer has only C2 symmetry. Hydrogen bonds exhibit a lower influence on the stereochemistry of lead(II) hydroxocomplexes in comparison with the steric effect of the Pb(II) lone electron pair. The picture of the Pb(II) lone electron pair cannot explain the lowered symmetry of isolated [Pb(OH)4]2- complexes with four equivalent hydrogen bonds.

Keywords: Pb complexes; Lead; Lone electron pair; Hydroxocomplexes; Molecular structure; Geometry optimization; Hydrogen bonds; DFT calculations; Ab initio calculations.

References: 33 live references.