Elucidation of a Sc(I) complex by DFT calculations and reactivity studies.
Sc(BrMgL)(2)Br (L = (R(2)NCH(2)CH(2)NCMe)(2)CH, 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 d(yz)() orbital by a delta-acceptor linear combination of BrMgL ring orbitals. Investigation of the reactivity of Sc(BrMgL)(2)Br (L = (R(2)NCH(2)CH(2)NCMe)(2)CH, R = Et) with H(2)O.B(C(6)F(5))(3) and (HOCH(2))(2)CMe(2), respectively, led to decomposition, with LMgBr being isolated in the latter case.
Neculai
Ana-Mirela
AM
Institut für Anorganische Chemie, Universität Göttingen, Tammannstrasse 4, D-37077 Göttingen, Germany.
Cummins
Christopher C
CC
Neculai
Dante
D
Roesky
Herbert W
HW
Bunkòczi
Gàbor
G
Walfort
Bernhardt
B
Stalke
Dietmar
D