Isolation and Characterization of a Trinuclear Rare-Earth Metal Complex Containing a Bicyclo[3.1.0]-P64- Ligand

Direct synthesis of organophosphorus compounds from white phosphorus (P-4) is of great significance because this process avoids the industry pollution synthetic methods and provides the possibilities for many novel phosphorus-containing compounds. A trinuclear rare-earth metal complex [{(eta(5)-C5Me5) LuCl}(3)(THF)P-6][Li(THF)(4)] from lutetacyclopentadiene mediated P-4 functionalization was isolated and characterized. This novel complex contains a bicyclo[3.1.0]-P-6(4-) ligand which is an unreported type. X-ray diffraction analysis shows that the bicyclo[3.1.0]-P-6(4-) ligand adopts a boat-like conformation. Three lutetium atoms coordinate to this ligand in eta(1), eta(3), eta(3) mode, respectively, and a novel [P6Lu3] cage has been formed. Density functional theory (DFT) calculations indicate that there are two three-center two-electron bonds.