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. Author manuscript; available in PMC: 2013 Feb 20.
Published in final edited form as: Inorg Chem. 2012 Feb 3;51(4):2338–2348. doi: 10.1021/ic202329y

Figure 7.

Figure 7

Isocontour plots of the unpaired spin density distribution at 0.005 e-/a03 for the two conformers of [1]+. The central methylene of the pdt2- ligand can be oriented towards Ni (left, conformer ‘a’) or Fe (right, conformer ‘b’). Unpaired atomic spin densities are given for selected nuclei.