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. Author manuscript; available in PMC: 2014 Sep 4.
Published in final edited form as: J Am Chem Soc. 2013 Aug 22;135(35):13168–13184. doi: 10.1021/ja406608u

Figure 13.

Figure 13

Qualitative molecular orbital diagram for (iPrCNC)CoCH3 obtained from a BS(1,1) DFT calculation at the B3LYP level of DFT (left). Spin density plot for (iPrCNC)CoCH3 was obtained from a Mulliken population analysis (right).