Table 5. Experimental and Calculated Reduction Potentialsa.
| species |
E° [(FeFe)]+/0 |
E° [tH-(FeFe)]+/0 |
E° unsym-[μH-(FeFe)]+/0 |
|
|---|---|---|---|---|
| [(FeFe)pdt]b | exptc | –0.94 | –1.70d | –1.80 |
| calcd | –0.94 | –1.70 | –1.80e | |
| [(FeFe)adt] | exptf | –0.76 | –1.66g | –1.79 |
| calcd | –0.84 | –1.69 | –1.77h |
a
Values given in volts vs Fc0/Fc+ in CH2Cl2. Experimental E1/2 values given unless otherwise indicated.
b
[(FeFe)pdt] reactions were used as the reference reactions, so the calculated and experimental values agree by construction.
c
Experimental data from ref (79).
d
Quasi-reversible reaction, so Ep is reported.
e
E° = −1.82 V vs Fc0/Fc+ in CH2Cl2 if calculated using the symmetric bridging form.
f
Experimental data from ref (38).
g
Irreversible reaction, so Ep is reported.
h
E° = −1.83 V vs Fc0/Fc+ in CH2Cl2 if calculated using the symmetric bridging form.