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

Abstract

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.