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. Author manuscript; available in PMC: 2017 Apr 4.

Published in final edited form as: Chemistry. 2016 Feb 26;22(15):5133–5137. doi: 10.1002/chem.201600551

A) Spectroscopic characterization (UV/Vis) of green [(12-TMC)₂Cu^II₂(O₂²⁻)]²⁺ (λ_max = 364 nm) generated by the oxygenation of TI-[(12-TMC)Cu^I(CH₃CN)]⁺. Inset: rR spectra (λ = 380 nm) of [(12-TMC)₂Cu^II₂(O₂²⁻)]²⁺ generated from ¹⁶O₂ and ¹⁸O₂ (*), and ¹⁶O₂–¹⁸O₂ subtraction. B) DFT optimized structure of ^SP [(12-TMC)₂Cu^II₂(O₂²⁻)]²⁺ and TD-DFT calculated spectroscopic features (rR and UV/Vis).