A polynuclear and two dinuclear copper(II) Schiff base complexes: Synthesis, characterization, self-assembly, magnetic property and DFT study

摘要

Graphical abstractTwo antiferromagnetic and a ferromagnetic basal-apical pseudohalide bridged square pyramidal copper(II) complexes have been synthesized and characterized. DFT calculations have been employed to obtain a better understanding of the magnetic exchange mechanism and to calculate energies associated with different supramolecular interactions.Display OmittedAbstractThree elongated (4+1) square pyramidal copper(II) complexes, [Cu2(L)2(μ1,1-N3)2]·H2O (1), [Cu2(L)2(μ1,1-NCO)2] (2) and [Cu(L)(μ1,5-dca)]n(3) [HL=1((2-(methylamino)ethylimino)methyl)naphthalen-2-ol and dca=dicyanamide], have been synthesized using a tridentate N2O donor Schiff base ligand (HL) and characterized. Complexes1and2are centrosymmetric dimers in which copper(II) centres are connected by asymmetric double end on pseudohalide bridges. Complex3f