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RESEARCH PRODUCT

High-spin → low-spin relaxation in the two-step spincrossover compound [Fe(pic)3]Cl2EtOH (pic = 2-picolylamine)

Hartmut SpieringAndreas HauserHarald Romstedt

subject

education.field_of_studyAbsorption spectroscopyCondensed matter physicsChemistryPopulationMonte Carlo methodSpin transitionObservableGeneral ChemistryFe(II) compundsCondensed Matter PhysicsMolecular physicsHigh spin-low spin relaxationddc:540Relaxation (physics)MoleculeGeneral Materials ScienceeducationTwo-step spin transitionSpin-½

description

Abstract The spin-crossover compound [Fe(pic) 3 ]Cl 2 EtOH (pic = 2-picolylamine) shows an unusual two-step spin transition. This is thought to be caused by specific nearest-neighbour interactions and short-range correlations and requires a theoretical treatment of the elastic interactions between the spin-changing molecules beyond the mean-field approximation. Such short-range correlations also influence the high-spin → low-spin relaxation following the light-induced population of the high-spin state at cryogenic temperatures, leading to characteristic deviations from the predictions of a mean-field treatment. These deviations are directly observable by comparison of the full and unperturbed relaxation curves with curves for which the short-range correlations were destroyed using an appropriate irradiation technique. Monte Carlo simulations including both nearest-neighbour and longrange interactions give a description of the observed relaxation curves which is consistent with the thermal spin equilibrium.

https://doi.org/10.1016/s0022-3697(97)00142-x