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. Author manuscript; available in PMC: 2013 Jul 18.
Published in final edited form as: J Am Chem Soc. 2012 Jul 6;134(28):11791–11806. doi: 10.1021/ja3046298

Figure 9.

Figure 9

Comparison of low- and high-spin frontier molecular orbitals involved in the H-atom transfer reaction for [FeIV=O(TBC)(CH3CN)]2+ (green) and [FeIV=O(TMC)(CH3CN)]2+ (black) with ethylbenzene.