Magnetostructural correlation in tetracopper(II) cubanes

Add time:08/25/2019    Source:sciencedirect.com

The tetradendate Schiff base ligand N-2-hydroxy-3-methoxybenzaldehyde-α-amino-iso-butyrate (H23-MeOSAIB) has been complexed with copper(II) giving rise to a tetranuclear complex [Cu4(3-MeOSAIB)4]·H2O with cubane structure classified, according to the number of Cu⋯Cu contacts and bridging angles Cu–O–Cu, as 4+2 (type II) cubane. Magnetic data is reconstructed with two exchange coupling constants. The open angle Cu1–O1–Cu2 (α = 114°) existing four times facilitates a strong antiferromagnetic coupling that is in competition with ferromagnetic interactions through the path Cu1–O2–Cu2 (α∗ = 88°) occurring four times; the resulting coupling constant is J4/hc = −80.5 cm−1 (4×). The second exchange coupling constant occurring twice is J2/hc = +6.2 cm−1 (2×) as a result of weak ferromagnetic interaction via bridges Cu1–O1–Cu1 and Cu2–O2–Cu2 (β1 = 92 and β2 = 94°). The analysis of available experimental data reveals a transparent magnetostructural correlation of J2 versus β (mean value), according to a straight line with negative slope; J4 weakly correlates with the angle α. A deep chemometric analysis has been applied in order to unhide latent magnetostructural correlations.

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