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Electrical control over the Fe(II) spin crossover in a single molecule: Theory and experiment

Meded, V. ; Bagrets, A. ; Fink, K. ; Chandrasekar, R. ; Ruben, M. ; Evers, Ferdinand ; Bernand-Mantel, A. ; Seldenthuis, J. S. ; Beukman, A. ; van der Zant, H. S. J.


We report on theoretical and experimental work involving a particular molecular switch, an [FeII(L)2]2+ complex, that utilizes a spin transition (“crossover”). The hallmark of this transition is a change of the spin of the metal ion, SFe=0 to SFe=2, at fixed oxidation state of the Fe ion. Combining density functional theory and first principles calculations, we demonstrate that within a single ...


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