Scandium terminal imido complex induced intramolecular C–N bond cleavage and transformation

<正>1 X-ray crystallography Suitable single crystal of 2 was sealed in a thin-walled glass capillary, and data collection was performed at 293(2) K on a Bruker SMART diffractometer with graphite-monochromated Mo Kα radiation(λ = 0.71073 ). Suitable single crystals of 3and 4 were mounted under nitrogen atmosphere on a glass fiber, and data collection was performed at 133(2) K on a Bruker APEX2 diffractometer with graphite-monochromated Mo Kα radiation(λ = 0.71073 ). The SMART program package was used to determine the unit cell parameters. The absorption correction was applied using SADABS. The structures were solved

Scandium terminal imido complex induced intramolecular C-N bond cleavage and transformation

The scandium terminal imido complex supported by a monoanionic tetradentate NNNN ligand, LSc=N(DIPP)] (L = MeC(N(DIPP))CHC(Me)(NCH₂CH₂N(Me)CH₂CH₂NMe₂]^?, DIPP = 2,6-( ⁱ Pr)₂C₆H₃) (1), undergoes a C-N bond cleavage at elevated temperature to give a mononuclear scandium anilido intermediate 2a, which subsequently aggregates into a binuclear scandium anilido complex 2. The mononuclear intermediate 2a reacts with alkyne or imine to provide two scandium anilido complexes 3 and 4, which contain a dianionic tetradentate NNNC ligand or a dianionic tetradentate NNNN ligand. DFT calculations on the reaction mechanism of C-N bond cleavage in 1 were also performed.