Synthesis and Structure of Triphenylscandium-bis(tetrahydrofuran)

Metathesis reaction of ScCl₃(THF)₃ with 3 equiv. of phenyllithium in THF/Et₂O solution affords ScPh₃(THF)₂ ( 1 ) in good yield. The crystallographically determined molecular structure of 1 reveals a trigonal-bipyramidal coordination sphere with the THF molecules in the axial positions and Sc–C bonds of 2.245(4)–2.266(4) Å. The σ-bound phenyl groups are only slightly twisted (0, 8, 18°) with respect to the ScC₃ plane. Ab initio calculations suggest that the THF molecules play some direct role in the moderate coplanarity of the phenyl rings.