Studies of a nickel-based single molecule magnet: resonant quantum tunnelling in an S = 12 moleculeElectronic supplementary information (ESI) available: saturation magnetisation at 150 mK; 1/χ′ vs. T. See http://www.rsc.org/suppdata/cc/b1/b108894g/

Abstract

A cyclic dodecanuclear nickel complex is the first single molecule magnet based on nickel(II) centres; the material is also the highest spin molecule to show resonant quantum tunnelling of magnetisation.

DFT Computational Rationalization of an Unusual Spin Ground State in an Mn12 Single‐Molecule Magnet with a Low‐Symmetry Loop Structure

“…This is also a N,O,O chelate, but is more flexible than pdmH 2 and we anticipated that it might lead to new types of manganese clusters; we were unaware of any use of mdaH 2 in manganese chemistry. We herein report the synthesis and properties of Mn 4 and Mn 12 clusters with this ligand, and show that they are new SMMs. Further, the Mn 12 cluster has an unusual ground-state spin value for a loop structure, and we provide rationalization for this using DFT calculations.…”

“…It has been found as a chelate in species such as [PtCl 2 (pdmH 2 )], [2] [TcOCl(pdmH) 2 ], [3] and [{MoO 2 (pdm)} n ]. [4] In manganese chemistry, the alkoxide arms also act as bridging groups yielding polynuclear clusters such as [Mn 4 (O 2 CMe) 2 -(pdmH) 6 ] 2+ with S = 9, [5] [Mn 9 (O 2 CEt) 12 (pdm)(pdmH) 2 (L) 2 ] with S = 11/2, [6] and [Mn 25 O 18 (OH) 2 (N 3 ) 12 (pdm) 6 (pdmH) 6 ] 2+ with S = 51/2. [7] All these complexes are SMMs.…”

Topological insights in polynuclear Ni/Na coordination clusters derived from a schiff base ligand

“…The interest in polynuclear Ni(II) coordination chemistry was first captured when the first Ni(II)-based SMM, a Ni 12 complex, was reported in 2001 by Cadiou et al [24]. Ever since, there have been a number of homometallic polynuclear Ni II CCs with high nuclearities including, Ni 5 [7,25], Ni 6 [26], Ni 7 [27,28], Ni 8 [29][30][31][32], Ni 9 [33,34], Ni 11 [35], Ni 12 [7], Ni 13 [36], Ni 14 [37], Ni 20 [38], Ni 21 [39], Ni 24 [40] and Ni 26 [41], and many of these display interesting magnetic properties including ferromagnetic, ferrimagnetic coupling, diamagnetism and SMM behaviour.…”

Observation of field-dependent magnetic parameters in the magnetic molecule{Ni4Mo12}

“…Also, for similar systems based on mononuclear linker groups the bond angles have a stronger effect on the exchange energies than the contact distance. 16,18,20,21,22,28,29,30 Due to the presence of crystal water molecules in the solid-state structure of {Ni 4 Mo 12 }·14 H 2 O which space the cluster entities apart, the closest intermolecular Ni· · · Ni distance in the solid state exceeds 7.15Å, rendering inter-molecular (dipoledipole) magnetic exchange insignificant.…”