Synthesis and structural characterization of an 11-vertex nido-diphosphaborane, 7,9-Ph2-nido-7,9-P2B9H9

The new 11-vertex nido-diphosphaborane, 7,9-Ph2-nido-7,9-P2B9H9, has been synthesized by the reaction of Me4N+[nido-B9H12−] with PhPCl2 in the presence of NaH. A single crystal X-ray diffraction determination and DFT/GIAO/NMR methods have both established that the compound has an open cage structure containing the phosphorus atoms in non-adjacent positions on the open face.