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 |
Other reported C82-based endohedral fullerenes were also added for comparison.
ΔEgap,EC = E1/2,ox(1) – E1/2,red(1).