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)(NCH 2 CH 2 N(Me)CH 2 CH 2 NMe 2 ] − , DIPP = 2,6-( i Pr) 2 C 6 H 3 ) ( 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.