Giant Ising-type magnetic anisotropy in trigonal bipyramidal Ni(II) complexes: experiment and theory.

Tuning the Ising-type anisotropy in trigonal bipyramidal Co(II) complexes.

This paper demonstrates the engineering and tuning of Ising-type magnetic anisotropy in trigonal bipyramidal Co(II) complexes. Here, we predict that employing a ligand that forces a trigonal bipyramidal arrangement and has weak equatorial σ-donating atoms, increases (in absolute value) the negative zero field splitting parameter D. With these considerations in mind, we used a sulfur containing ...

Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii).

Monometallic complexes based on 3d transition metal ions in certain axial coordination environments can exhibit appreciably enhanced magnetic anisotropy, important for memory applications, due to stabilisation of an unquenched orbital moment. For high-spin trigonal bipyramidal Ni(ii), if competing structural distortions can be minimised, this may result in an axial anisotropy that is at least a...

Highly anisotropic exchange interactions in a trigonal bipyramidal cyanide-bridged Ni(II)3Os(III)2 cluster.

This article is a part of our efforts to control the magnetic anisotropy in cyanide-based exchange-coupled systems with the eventual goal to obtain single-molecule magnets with higher blocking temperatures. We give the theoretical interpretation of the magnetic properties of the new pentanuclear complex {[Ni(II)(tmphen)(2)](3)[Os(III)(CN)(6)](2)} x 6 CH(3)CN (Ni(II)(3)Os(III)(2) cluster). Becau...

Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii)† †Electronic supplementary information (ESI) available. CCDC 1059709. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc02854j Click here for additional data file. Click here for additional data file.

Combined ligand field and density functional theory analysis of the magnetic anisotropy in oligonuclear complexes based on Fe(III)-CN-M(II) exchange-coupled pairs.

Magnetic anisotropy in cyanide-bridged single-molecule magnets (SMMs) with Fe(III)-CN-M(II) (M = Cu, Ni) exchange-coupled pairs was analyzed using a density functional theory (DFT)-based ligand field model. A pronounced magnetic anisotropy due to exchange was found for linear Fe(III)-CN-M(II) units with fourfold symmetry. This results from spin-orbit coupling of the [Fe(III)(CN)6](3-) unit and ...