Author/Authors :
Roesky، Herbert W. نويسنده , , Neculai، Dante نويسنده , , Neculai، Ana Mirela نويسنده , , Stalke، Dietmar نويسنده , , Cummins، Christopher C. نويسنده , , Bunkoczi، Gabor نويسنده , , Walfort، Bernhardt نويسنده ,
Abstract :
Sc(BrMgL)2Br (L = (R2NCH2CH2NCMe)2CH, R = H) was studied by DFT methods leading to the conclusion that this diamagnetic formal scandium(I) system enjoys stabilization of its Sc-based filled dyz orbital by a (delta)-acceptor linear combination of BrMgL ring orbitals. Investigation of the reactivity of Sc(BrMgL)2Br (L = (R2NCH2CH2NCMe)2CH, R = Et) with H2O·B(C6F5)3 and (HOCH2)2CMe2, respectively, led to decomposition, with LMgBr being isolated in the latter case.
