10.1021/om9007949
The research focuses on the synthesis and properties of heteroleptic dibenzyl yttrium and erbium iodides [Ln(Bn)2(I)(THF)3] (Ln = Y (1), Er (2); Bn = CH2C6H5), which are notable for their thermal stability and resistance to ligand scrambling. These complexes serve as precursors to yttrium and erbium T-shaped carbenes. The study demonstrates the synthetic utility of 1 and 2 by reacting them with H2BIPM to produce phosphorus-stabilized yttrium and erbium carbenes [Ln(BIPM)(I)(THF)2] (Ln = Y (3); Er (4); BIPM = {C(PPh2NSiMe3)}2-). The research involves the use of various reagents, including [Y(I)3(THF)3.5]21 and [K(Bn)]20 for the preparation of 1, and analogous reagents for the synthesis of 2. The compounds were characterized using X-ray crystallography, multinuclear NMR spectroscopy, FTIR spectroscopy, room-temperature Evans method solution magnetic moments, and CHN microanalyses. The study also includes DFT calculations to analyze the bonding and electronic structure of the synthesized compounds.