Zirconium bent sandwich complex with a dicarbahexaborate ligand: [Li(THF) 3]{[ η5-C 2B 4H 4(SiMe 3) 2]( η5-C 5Me 5)ZrCl 2}

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The complex [Li(THF) 3]{[ η 5-C 2B 4H 4(SiMe 3) 2]( η 5-C 5Me 5)ZrCl 2} was synthesized via reaction of (C 5Me 5)ZrCl 3 with the dicarbahexaborate dianion [C 2B 4H 4(SiMe 3) 2] 2−. This new metallocene derivative may be described as an anionic, bent sandwich complex associated with an [Li(THF) 3] + cation via interaction with a boron atom of the [C 2B 4H 4(SiMe 3) 2] 2− cage. The dicarbahexaborate and pentamethylcyclopentadienide ligands are coordinated to the zirconium in an η 5 fashion, and the coordination geometry about the Zr atom is that of a distorted tetrahedron defined by the two chlorides and the centroids of the pentaroclylcyclopentadienyl and dicarbahexaborate ligands. The ClZrCl angle is 94.6(1)° and the (C 2B 3 centroid)-Zr-(C 5Me 5 centroid) angle is 131.3°. Attempts to synthesize zirconium silyl and alkyl complexes incorporating this carborane ligand have so far failed.