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. Author manuscript; available in PMC: 2014 Nov 18.
Published in final edited form as: Inorg Chem. 2013 Oct 25;52(22):12904–12914. doi: 10.1021/ic4008203

Figure 3.

Figure 3

TPSSh-calculated X-ray absorption spectra based on the high-spin solution (top) and the broken symmetry solution (bottom) fo r compounds 1 (solid black), 2 (dotted red) and 3a (dashed blue) and 3b (dash-dotted green).