In-depth investigation of large axial magnetic anisotropy in monometallic 3d complexes using frequency domain magnetic resonance and ab initio methods: a study of trigonal bipyramidal Co(ii).

ABSTRACT: The magnetic properties of 3d monometallic complexes can be tuned through geometric control, owing to their synthetic accessibility and relative structural simplicity. Monodentate ligands offer great potential for fine-tuning the coordination environment to engineer both the axial and rhombic zero-field splitting (ZFS) parameters. In [CoCl₃(DABCO)(HDABCO)] (1), the trigonal bipyramidal Co(ii) centre has two bulky axial ligands and three equatorial chloride ligands. An in-depth experimental and theoretical study of 1 reveals a large easy-plane magnetic anisotropy (+ve D) with a negligible rhombic zero-field splitting (E) due to the strict axial symmetry imposed by the C ₃ symmetric ligand and trigonal space group. The large easy-plane

SUBMITTER: Hay MA 

PROVIDER: S-EPMC6601423 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature