Spin Maximization: Switching of the Usual S = 11 State of Mn^II₄Mn^III₃ Disklike Complexes to the Maximum S = 16

Abstract

The S = 11 ground states of the Mn 7 family of mixed-valence complexes with a metal-centered hexagonal topology have been found by density functional theory calculations to arise by spin frustration involving small differences in the magnitudes of the two weakest interactions controlling the alignment of the central spin. Targeted structural perturbation has allowed a complex with the central spin flipped to be discovered, which thus possesses the maximum S = 16 ground state.

Magic-angle effects in a trigonal Mn3III cluster: Deconstruction of a single-molecule magnet

“…10 One approach to creating SMMs involves assembling multiple paramagnetic ions possessing appreciable magnetic anisotropy into larger high-symmetry, high-spin molecules. 1,[14][15][16][17][18] The design of these types of molecular spin clusters was historically motivated by the desire of increasing the energy barrier, 𝑈 eff ≈ |𝐷𝑆 T 2 |, separating the maximally projected spin-up and down states, where D parameterizes the 2 nd -order uniaxial anisotropy (through the effective spin…”

Five Disk‐Shaped {MII7} (M = Mn, Fe, Co, Cu, Zn) Clusters and One Capsule‐Like {CuII6NaI2} Cluster Assembled from the Same Schiff Base Ligand

“…A growing number of {M 7 } clusters with disk‐shaped configurations have been discovered. In our literature survey, we found 41 {M 7 } compounds with disk‐shaped cores . Table listed the formulas, supporting ligands, M II ··· M II distances, and magnetic properties of these clusters.…”

Crystal structure of aqua-1κO-{μ-2-[(2-hydroxyethyl)methylamino]ethanolato-2:1κ4O1,N,O2:O1}[μ-2,2′-(methylimino)diethanolato-1:2κ4O,N,O′:O]dithiocyanato-1κN,2κN-chromium(III)copper(II)

“…Polydentate alkoxido ligands possessing versatile bridging modes were recognized as promising reagents for the synthesis of new heterometallic complexes. In particular diethanolamine and its N-alkyl derivatives are recognized N,O ligands that possess an interesting coordination chemistry and are thus often used for the design of various multimetallic cores and polymeric assemblies (Allen, 2002;Singh & Mehrotra, 2004;Verkade, 1993;Stamatatos et al, 2008;Beedle et al, 2008;Kirillov et al, 2008). Great interest in the synthesis and investigation of polynuclear chromium containing compounds dates from the late 90s, mostly due to the works of Winpenny and co-workers devoted to magnetic studies of high-nuclear cages and wheels (McInnes et al, 2005;Affronte et al, 2005).…”