title: Encapsulation of a [Dy(OH2)8](3+) cation: magneto-optical and theoretical studies of a caged, emissive SMM.
abstract: The first supramolecular cage formed by three benzo-15-crown-5 macrocycles encapsulating a [Dy(OH2)8](3+) guest cation is reported, with the Dy(iii) centre exhibiting local pseudo square antiprismatic D4d symmetry. The anisotropy barrier extracted from ac susceptibility studies, emission spectroscopy and ab initio calculations reveals that the second excited state Kramers doublet plays a key role in the magnetization dynamics due to the Ising character and near coparallel nature of the ground and first excited Kramers doublets.
authors.affiliation: Department of Chemistry, Brock University, 1812 Sir Isaac Way, St Catharines, Ontario L2S3A1, Canada. mpilkington@brocku.ca.
authors.forename: M
authors.initials: M
authors.lastname: Al Hareri
authors.forename: E L
authors.initials: EL
authors.lastname: Gavey
authors.forename: J
authors.initials: J
authors.lastname: Regier
authors.forename: Z
authors.initials: Z
authors.lastname: Ras Ali
authors.forename: L D
authors.initials: LD
authors.lastname: Carlos
authors.forename: R A S
authors.initials: RA
authors.lastname: Ferreira
authors.forename: M
authors.initials: M
authors.lastname: Pilkington