Skip to main content
. 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 12.

Figure 12

Qualitative molecular orbital diagram (left) for (iPrCNC)CoBr from a BS(1,1) calculation at B3LYP level. Spin density plot (right) was obtained from Mulliken population analysis (red, positive spin density; yellow, negative spin density).