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Keywords:

  • Copper;
  • Supramolecular chemistry;
  • Magnetic properties;
  • Density functional calculations

Graphical Abstract

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The geometrical parameters and magnetic properties of structurally interesting metal–organic macrocycles {[Cu4(L)2]·xS and [Cu4(L)2(H2O)2]·xS} can be varied drastically by changing the crystallization solvent. Six novel structures are reported along with their calculated magnetic coupling constants.

Abstract

Six new tetranuclear copper(II) complexes were prepared exploiting novel ditopic alkylenediamine-N,N,N′,N′-tetraphenolate ligands. The geometrical parameters of the compounds can be varied by introducing different solvents of crystallization into the lattice. The structures of all six complexes were determined from single-crystal X-ray diffraction analyses and the magnetic properties of the complexes were estimated by computational DFT calculations. The relationship between the magnetic exchange coupling constant (J) and the Cu–O–Cu angle (θ) in these bis(phenoxido)-bridged complexes was investigated and a magnetostructural correlation was established between J and the θ angle. All studied complexes showed strong antiferromagnetic behaviour.