A Bis(μ‐oxido)dinickel(III) Complex with a Triplet Ground State

A bis(μ‐oxido)dinickel(III) complex was synthesized and characterized by single crystal X‐ray diffraction, resonance Raman, and ESI‐mass measurements. Magnetic susceptibility measurements by SQUID and EPR spectroscopy reveal that the complex has a triplet ground state, which is unprecedented for high‐valent metal (M) complexes with [M2(μ‐O)2] diamond core. DFT studies indicate ferromagnetic coupling of the nickel(III) centers. The complex exhibits hydrogen ion reactivity and oxygenation reactivity toward external substrates. A ferromagnetically coupled bis(μ‐oxide) dimetal complex is characterized by X‐ray crystallography, EPR, and SQUID. DFT calculations explain the origin of the triplet ground state as the orthogonality of dz2 orbitals storing unpaired electrons. The complex exhibits reactivity toward external substrates.