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. Author manuscript; available in PMC: 2010 Oct 14.
Published in final edited form as: J Am Chem Soc. 2009 Oct 14;131(40):14426–14433. doi: 10.1021/ja905206k

Figure 4.

Figure 4

Reaction pathway energetics and structure of methane hydrogen abstraction via SyrB2 model compound. The hydrogen abstraction step (left, with structures) has a barrier of 9 kcal/mol but is weakly exothermic. Tracking of key structural parameters (right) show elongation of the Fe-O bond at the transition state, and a preference for two short Fe-Osuccinate distances in the product complex.