Crystal structures, semiempirical PM3 calculations and NMR studies of trimesityllead bromide and dimesityllead dibromide

摘要

Trimesityllead bromide has been synthesized by the reaction of mesityllithium with lead(II) chloride in tetrahydrofuran (THF). As a side product, dimesityllead dibromide was formed. The structures of both compounds were determined by single-crystal X-ray diffraction analysis. Both Mes_3PbBr and Mes_2PbBr_2 were characterized by NMR (~1H, ~(13)C and ~(207)Pb) and other spectroscopic methods. ~(207)Pb-~1H and ~(207)Pb-~(13)C coupling constants were determined. The experimentally obtained X-ray data were compared with those calculated at the semiempirical PM3 level.