Fig. 7: Computational investigation of nitroxide electron affinities. | Communications Chemistry

Fig. 7: Computational investigation of nitroxide electron affinities.

From: Conformational tuning improves the stability of spirocyclic nitroxides with long paramagnetic relaxation times

Fig. 7

Calculated adiabatic electron affinities (EAs) for nitroxides 5, 8, cis,cis-9, and 10–13 (298 K, PBE0-D3BJ/def2-TZVPP[IEFPCM, water])46,47,48,49,50,51,52,53,54,55,56. EAs were taken as the energy difference between the most stable nitroxide conformer and the most stable hydroxylamine anion conformer for each compound.

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