Molecular and electronic structures of donor-functionalized dysprosium pentadienyl complexes

Abstract

The molecular structures of two dysprosium complexes of donor-functionalized pentadienyl ligands are described. Electronic structure calculations reveal that the W-shaped pentadienyl ligand strongly influences the orientation of the main magnetic axis of the ground Kramers doublets in both complexes. Two dysprosium complexes, [(C 5 H 4 Me) 2 Dy(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 . Show more