A heterometallic (Ni(II)-Cu(II)) decanuclear cluster containing two distorted cubane-like pentanuclear cores: synthesis, structure, and magnetic properties

Inorg Chem. 2012 Jun 18;51(12):6440-2. doi: 10.1021/ic300756g. Epub 2012 Jun 5.

Abstract

A new heterometallic Ni(II)-Cu(II) decanuclear cluster, {[Ni(4)Cu(6)(μ-OH(2))(2)(dpkO(2))(8)(OAc)(4)(H(2)O)(4)]·2CH(3)OH·17H(2)O} (1), has been synthesized by self-assembly of the constituent metal ions and the precursor di-2-pyridylketone (dpk) of multinucleating ligand dpkO(2)(2-) and is structurally characterized. The cluster 1 is formed by the union of two symmetry-related distorted cubane-like pentanuclear cores. A magnetic study of 1 reveals strong antiferromagnetic interactions operating through the Ni-O-Ni pathway, which is independent of the assumption D = 0 or D ≠ 0. The pentanuclear cores are ferromagnetically coupled, as supported by density functional theory calculations.