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. Author manuscript; available in PMC: 2019 Apr 17.
Published in final edited form as: J Am Chem Soc. 2018 Nov 26;140(48):16495–16513. doi: 10.1021/jacs.8b06517

Figure 8.

Figure 8.

DFT structures of the [H200(H)]+ peroxy bridged species species 2a and the [H200]0 hydroperoxy bridged species 2b (ε = 4.0), with the Fe-OO in the plane of the page. The representations are the same as previous figures. Bond lengths are shown in Å. The bond lengths in parentheses are hydrogen bond heavy atom distances.