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. 2017 Oct 12;139(45):16228–16234. doi: 10.1021/jacs.7b07489

Table 1. Gibbs Free Energy of formation of CoII and CoI by Oxidative and Reductive Electron Transfer Pathwaysa.

ECBN2,V (NHE) in vacuum E(N2•–), V (NHE) in vacuum E(CoIII/CoII), V (NHE) in ACN E(CoII/CoI), V (NHE) in ACN ΔG1°, eVb ΔG2°, eVb ΔG3°, eVb ΔG4°, eVb
–1.52 –2.31 –0.43 –0.88 –1.09 –0.64 –1.88 –1.43
a

The N2-COF energy levels are the calculated values for a model hexagon with hydrazone termination.9E(CoIII/CoII) and E(CoII/CoI) potential values have been obtained from ref (25).

b

Calculations are as follows: Inline graphic, Inline graphic, Inline graphic, Inline graphic.