Molecular and electronic structures of donor-functionalized dysprosium pentadienyl complexes

Abstract

Two dysprosium complexes, [(C₅H₄Me)₂Dy(L¹)] (3) and [(L¹)Dy(μ-Cl)₃{Li(tmeda)}]₂ (4), with amino-functionalized pentadienyl ligands L¹ 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 L¹ has a strong influence on the orientation of the main magnetic axis of the ground Kramers doublets in 3 and 4.