Fig. 4
From: Deactivation of redox mediators in lithium-oxygen batteries by singlet oxygen
Reactions and energetics of reactions between DMPZ and 1O2. Possible reactions of DMPZ/DMPZ+ with 1O2, B3LYP/6–31G* optimized geometries of the reaction products, and DFT-calculated free energies at 298 K (ΔG) and the barriers for these reactions (ΔG‡)
