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. Author manuscript; available in PMC: 2011 Oct 15.
Published in final edited form as: Inorganica Chim Acta. 2010 Oct 15;363(12):2857–2864. doi: 10.1016/j.ica.2010.04.004

Figure 6.

Figure 6

Molecular orbital diagram of 3b, 2b, and 1b calculated in spin unrestricted DFT method. The dashed line represents the separation between the HOMO and the LUMO. The formal oxidation state of Ni in these complexes is considered to be +3.