Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues

摘要

Reaction of [Ln(CH_2SiMe_3)_2(THF)_n] [BPh_4] (Ln = Sc, Y, Lu; n = 3,4) with Li{B(NArCH)_2} (THF)_2 (Ar = 2,6-C_6H_3~iPr_2) formed the first group 3 and lanthanide boryl compounds, Sc{B(NArCH)_2}(CH_2SiMe_3)_2(THF) and Ln-{B(NArCH)_2}(CH_2SiMe_3)_2(THF)_2 (Ln = Y, Lu), which contain two-center, two-electron Ln-B σ bonds. All of these systems were crystallographicaUy characterized. Density functional theory analysis of the Ln-B bonding found it to be predominantly ionic, with covalent character in the σ-bonding Ln-B HOMO.