On the Reliability of the Structures of Lead(II) Hydroxo Complexes Obtained by MNDO Method
Optimum geometry of tetrahedro -Pb 4 [(μ 3 -OH) 4 ] 4+ cluster obtained by the semiempirical MNDO method corresponds to T d 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 H 2 O inclusion makes the agreement worse.