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

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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-(iPr)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. The scandium terminal imido complex supported by a monoanionic tetradentate NNNN ligand, [LSc = N (DIPP)] (L = [MeC (N (DIPP)) CHC (Me) (NCH2CH2N (Me) CH2CH2NMe2] - (iPr) 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.
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