Inorganics, Volume 9, Issue 2 (February 2021) – 9 articles
Cover Story (view full-size image): Complex formation of nickel(II) salts and tert-butyl 2-pyridyl nitroxides afforded a discrete 2p–3d–2p triad. Ferromagnetic coupling is favored when the magnetic orbitals, nickel(II) dσ and radical π*, are arranged in a strictly orthogonal fashion, namely, a planar coordination structure is characterized. In contrast, a severe twist around the coordination bond leads to an orbital overlap, resulting in antiferromagnetic coupling. Spin-transition complexes exhibited a planar coordination structure in a high-temperature phase and a nonplanar coordination structure in a low-temperature phase. Density functional theory calculation indicates the energy level crossing of the high- and low-spin states. The optimized structures of high- and low-spin states well agreed with the experimental small and large torsions, respectively. View this paper.
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