Abstract
A theoretical study of the exchange coupling in a series of copper(II) halide compounds containing quasi-planar bi-bridged dimers is reported. The exchange, antiferromagnetic for the parent Cu 2X 6 2− (X = Cl, Br), becomes less antiferromagnetic as terminal halide ions are replaced by more electronegative O- or N-based ligands. The trend is attributed to the reduction in electron density on the bridging halide ions induced by these more electronegative ligands. Theoretical calculations of the exchange coupling are presented to compare with the experimental results.
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