Molecular and electronic structures of donor-functionalized dysprosium pentadienyl complexes.

Two dysprosium complexes, [(C5H4Me)2Dy(L(1))] (3) and [(L(1))Dy(µ-Cl)3{Li(tmeda)}]2 (4), with amino-functionalized pentadienyl ligands L(1) are described. Crystallographic studies of 3 and 4 show that the pendant amino group influences the pentadienyl conformation and the ligand hapticity. Electronic structure calculations reveal that L(1) has a strong influence on the orientation of the main magnetic axis of the ground Kramers doublets in 3 and 4.