. Author manuscript; available in PMC: 2019 May 9.

Published in final edited form as: Chem Rev. 2018 Apr 30;118(9):4834–4885. doi: 10.1021/acs.chemrev.7b00763

Table 3.

Effect of ring structure on the calculated 1 e⁻ potentials for oxidation and reduction of cyclic aminoxyl radicals. Gas phase species were optimized at the G3(MP2)-RAD level with B3-LYP/6–31G(d) level of theory. Solvation energies of each species were calculated using the polarized continuum model. Experimental values were measured in CH₃CN with 0.1 M NBu₄BF₄ at a Pt electrode. Values are referenced against NHE.⁷⁸

Entry	Experimental Potential (mV)	Calculated Potential (mV)
1	850	807
2	976	971
3	1045	999
4	1010	474