Molecular and electronic structures of donor-functionalized dysprosium pentadienyl complexes

Two dysprosium complexes, [(C5H4Me)(2)Dy(L-1)] (3) and [(L-1)Dy-(mu-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.