Collect. Czech. Chem. Commun.
1999, 64, 1269-1273
https://doi.org/10.1135/cccc19991269
On the Reliability of the Structures of Lead(II) Hydroxo Complexes Obtained by MNDO Method
Martin Brezaa,* and Alena Manováb
a Department of Physical Chemistry, Slovak Technical University, SK-812 37 Bratislava, Slovak Republic
b Department of Analytical Chemistry, Slovak Technical University, SK-812 37 Bratislava, Slovak Republic
Abstract
Optimum geometry of tetrahedro-Pb4[(μ3-OH)4]4+ cluster obtained by the semiempirical MNDO method corresponds to Td symmetry. The calculated Pb-Pb (3.70 · 10-10 m) and Pb-O (2.33 · 10-10 m) distances are in reasonable agreement with experimental X-ray data. Additional H2O inclusion makes the agreement worse.
Keywords: Lead(II) clusters; Hydroxo complexes; Molecular structure; MNDO calculations; Semiempirical calculations.
