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. Author manuscript; available in PMC: 2018 Mar 29.
Published in final edited form as: J Am Chem Soc. 2017 Mar 14;139(12):4462–4476. doi: 10.1021/jacs.6b13225

Scheme 3.

Scheme 3

MO Depictions of the First and Second Electron Transfer from the Fully Reduced (4CuI) Cu4S Cluster to μ-1,3 N2O: (A) First Electron Transfer via CuIV; (B) Second Electron Transfer via CuIV with Concerted Protonation of Lys397; (C) α and β LUMOs of the Product 2-Hole CuIV–OH State