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. Author manuscript; available in PMC: 2016 Dec 11.
Published in final edited form as: J Am Chem Soc. 2016 Oct 31;138(44):14764–14771. doi: 10.1021/jacs.6b09329

Table 1. Redox Potentials (V vs Fc+/Fc) and Electrochemical Gaps (ΔEgap,ec) of TbNC@C82 (C2(5), Cs(6), C2v(9))a.

E1/2 (V vs Fc/Fc+)
reduction steps (Ered)
oxidation step (Eox)
sample first second third fourth first ΔEgap,EC/Vb ref.
TbNC@C2(5)-C82 −0.88 −0.97 −1.55 −1.91 0.50 1.38 36
Yb@C2(5)-C82 −0.86 −0.98 −1.50 −1.87 0.38 1.24 49
TbNC@Cs(6)-C82 −0.59 −0.84 −1.77 −1.92 0.55 1.14 this work
YNC@Cs(6)-C82 −0.59 −0.84 −1.76 −1.92 0.56 1.15 35
Yb@Cs(6)-C82 −0.62 −0.92 −1.81 −2.01 0.34 0.96 49
TbNC@C2v(9)-C82 −0.46 −0.81 −1.78 −1.96 0.55 1.07 this work
Yb@C2v(9)-C82 −0.46 −0.78 −1.60 −1.90 0.61 1.07 49
a

Other reported C82-based endohedral fullerenes were also added for comparison.

b

ΔEgap,EC = E1/2,ox(1)E1/2,red(1).