Mechanism of magnetisation relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” complexes: how important are the transition metal ions here?

Abstract

Tuning of relaxation of magnetisation through 3d metal ion variations in 3d2Dy2 butterflies.

Single Molecule Magnet Features in the Butterfly [CoIII2LnIII2] Pivalate Family with Alcohol‐Amine Ligands

“…Indeed, it has been shown that the incorporation of these cations can influence the electron density distribution of surrounding coordinating ligands, thus affecting the electronic structure and the magnetization relaxation properties of the Ln(III) ions. [18,19] We and others have been exploring this type of systems with Co(III) as the diamagnetic metallic site. Among all reported structurally characterized compounds adjusting to the {Co III 2 Ln III 2 } content approximately 40 entries are found in the CCDC database up to now.…”

In silico design to enhance the barrier height for magnetization reversal in Dy(iii) sandwich complexes by stitching them under the umbrella of corannulene

“…15 This methodology has been established as a reliable tool to predict g-tensors and energies of low lying states for 4f, 3d-4f, and 4f-4f complexes. 11,19,20,30,[33][34][35][36][37][38][39][40] We have computed eight low lying Kramer's Doublets (KDs) corresponding to 6 H 15/2 state. For all these complexes, the eight low-lying KDs lie within an energy span of 717 -1092 cm -1 (see Table 1).…”

From the {FeIII2Ln2} Butterfly's Perspective: the Magnetic Benefits and Challenges of Cooperativity within 3 d–4 f Based Coordination Clusters

“…The compounds are essentially isostructural to the [Fe III 2 Dy III 2 (μ 3 -OH) 2 (teaH) 2 (p-Me-PhCO 2 ) 6 ] (15) compound. [20,29] As can be seen from the structure of the Dy III compound 19 shown in Figure 14a, the protonated chelating alcohol arm of the teaH 3 ligand which is attached to the Ln III centres has been replaced by a picolyl arm. The dc magnetic measurements revealed the expected dominant antiferromagnetic interactions between the magnetic centres for the {Fe III 2 Ln 2 } systems as was the case for the previously reported {Fe III 2 Ln 2 } systems.…”