Rafal Kulmaczewski

TL;DR: DFT calculations reproduce disparate trends, which arise from competing influences of pyridyl and pyrazolyl ligand substituents on Fe‐L σ and π bonding.

TL;DR: The abrupt and localized spin crossovers of a new triazole-based diiron(II) complex result in a record-equaling thermal hysteresis loop width for a dinuclear complex and show a remarkable scan rate dependence of only the cooling branch, as revealed by detailed magnetic, DSC, and Mössbauer studies.

TL;DR: All of the compounds in this work exhibit blue fluorescence in solution under ambient conditions, which supports a previously proposed structure/function relationship for spin-crossover materials with this form of crystal packing.

TL;DR: The first experimental evidence for a giant, conventional barocaloric effect (BCE) associated with a pressure-driven spin crossover transition near room temperature is provided in this paper, where magnetometry, neutron scattering, and calorimetry are used to explore the pressure dependence of the SCO phase transition in polycrystalline samples of protonated and partially deuterated materials.

TL;DR: Structure-function relationships relating the spin-crossover (SCO) midpoint temperature (T1/2) in the solid state are surveyed for 43 members of the iron(II) dipyrazolylpyridine family of SCO compounds and improved correlations are often obtained when ΔT(latt), rather than the raw T1/ 2 value, is considered as the measure of the SCO temperature.