Abstract
Abstract Crystals of the meta isomer of the (methoxy)phenyl nitronyl nitroxide radical, m-(OMe)PhNN, present the characteristics of an antiferromagnet (paramagnetic θ = −0.97 K, |J| = 1.6 cm−1, [L. Angeloni, A. Caneschi, L. David, A. Fabretti, F. Ferraro, D. Gatteschi, A. le Lirzin, R. Sessoli, J. Mater. Chem. 4 (1994) 1047]). Using our quantitative bottom–up approach, we analyze here the magnetism of this crystal by first computing its magnetic topology and, then, using this information, the macroscopic magnetic susceptibility χ(T) of the crystal. The crystal presents one ferro and two antiferromagnetic exchange interactions, JAB, of similar strength (+0.20, −0.20 and −0.11 cm−1) that create a complex three-dimensional magnetic topology of interacting planes. This complex network of competing ferro and antiferromagnetic pathways does not allow a sounding prediction of the macroscopic magnetic susceptibility using qualitative considerations. Our approach computes the χT versus T curve that fully reproduces the experimental shape.
Published Version
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