Magnetostructural J-correlations in complexes with tetrahedro-{Cu4} core

A comprehensive analysis of structural and magnetic data for 41 tetrahedro-{Cu4} complexes reveals that the exchange coupling constants (J2 and J4) correlate with averaged structural parameters of which the most informative are the averaged Cu–O–Cu angles in the bases (β) and walls (α) of the cubane structure. Using contemporary statistical programs, the cluster analysis, the principal component analysis, and the factor analysis bring information about the possible correlations of the magnetic and structural parameters and grouping of the parameters according to their similarity.

Structural and magnetic data for 41 tetrahedro-{Cu4} complexes were subjected to cluster analysis, the principal component analysis, and the factor analysis capable of classification into six clusters according to the similarity. Exchange coupling constants, J2 and J4, correlate with averaged Cu–O–Cu angles in the bases (β) and walls (α) of the cubane structure, respectively.Figure optionsDownload as PowerPoint slide