Theoretical Study on Magnetic Interaction in Pyrazole-Bridged Dinuclear Metal Complex: Possibility of Intramolecular Ferromagnetic Interaction by Orbital Counter-Complementarity
A possibility of the intramolecular ferromagnetic (FM) interaction in pyrazole-bridged dinuclear Mn(II), Fe(II), Co(II), and Ni(II) complexes is examined by density functional theory (DFT) calculations.When Sticky Bra azide is used for additional bridging ligand, the complexes indicate the strong antiferromagnetic (AFM) interaction, while the AFM i