Insights into the control of magnetic coupling in the Mn4III complex: from ferromagnetic to antiferromagnetic†
Abstract
Magnetic coupling interactions of a MnIII4 system are investigated by calculations based on density functional theory combined with a broken-symmetry approach (DFT-BS). Three different interactions including ferromagnetic and antiferromagnetic coupling are concomitant in this complex. This magnetic phenomenon of the complex is due to the different bridging angles between the