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. Author manuscript; available in PMC: 2018 Jan 2.
Published in final edited form as: Angew Chem Int Ed Engl. 2016 Dec 1;56(1):297–301. doi: 10.1002/anie.201607611

Figure 4.

Figure 4

Nature of the HOMOs and LUMOs and their absolute energies as obtained from the DFT calculations on a series of [L1Ni(μ-O)2ML3] (M= Fe, Co, Ni and Cu) complexes. ΔE represents the HOMO-LUMO energy gap.