Quantum Chemical Study of Spin Transitions in the Bimetallic Fe/Co Complexes with the Bis(catecholate) Bridging Ligand

The computational modeling of the spatial and electronic structures, energy characteristics, and magnetic properties of the bimetallic iron and cobalt complexes with 9,10-dimethyl-9,10-ethano-9,10-dihydro-2,3,6,7-tetrahydroxyanthracene and terminal tris(2-pyridylmethyl)amine bases is performed using the density functional theory method (DFT UTPSSh/6-311++G(d,p)). The chosen tetradentate redox ligand is shown to be a promising precursor for the production of magnetically active compounds. The calculations make it possible to establish a relationship between the relative energies of the electronic isomers of the complexes and the structures of the ancillary N-donor moieties. The coordination compounds prone to the manifestation of spin transitions accompanied by a change in the magnetic properties are revealed.

Electrical read-out of light-induced spin transition in thin film spin crossover/graphene heterostructures

An opto-electronic switching device made from an evaporated spin crossover thin film over a graphene sensor is presented. The electrical transduction of both temperature and light-induced reversible spin transitions are demonstrated.

Hexakis-adducts of [60]fullerene as molecular scaffolds of polynuclear spin-crossover molecules

Polynuclear spin-crossover molecules showing both thermal and photoinduced spin transitions have been prepared using a [60]fullerene hexakis-adduct endowed with Fe(ii) complexes of tridentate 2,6-bis(pyrazol-1-yl)pyridine (bpp) ligand.

Interplay between core and shell in a RbCoFe@RbNiCo Prussian blue analogue spin transition heterostructure

Core–shell particles with a Prussian blue analogue RbaCob[Fe(CN)6]c·mH2O core and different shell thicknesses are studied as the cores undergo both thermal and light-induced spin transitions, revealing different mechanisms for accommodating strain.