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. 2023 Jul 5;88(14):9893–9901. doi: 10.1021/acs.joc.3c00658

Table 1. Crystallographic, Optical, and Electrochemical Data for the Trityl Radicals Reported Here.

R = Θaveragea Σanglesb λmax (nm)c ε (M–1 cm–1)c E(+/•)d E(•/−)d ΔEe p67
Me2N     403f 58,000f –1.17 [−2.14] 1.07 –2.49
MeO 36.3° 360.0(5)° 536 560 –0.58 [−1.84] 1.30 –0.81
tBu 31.0° 360.0(5)° 525 815 [−0.40] [−1.77] 1.37 –0.48
Ph 30.8° 359.9(7)° 565 1000 [−0.30] [−1.44] 1.14 –0.03
Cl 27.0° 360.0(2)° 536 380 0.00 [−1.27] 1.27 0.69
CF3 32.7° 360.0(3)° 522 1240 0.29 –1.10 1.39 1.62
NO2 32.0°44 360(1)° 61932g n/a       2.28
a

Dihedral angle defined as the angle between the plane of a phenyl group and the plane of the central 4 carbons.

b

Sum of angles around central methyl carbon.

c

Reported at room temperature in toluene unless otherwise noted. Molar extinction coefficients are reported with an uncertainty of ±3%.

d

Potentials in MeCN are reported as V vs Fc/Fc+. Potentials are E1/2 = (Ep,a + Ep,c)/2 except those in square brackets that are irreversible potentials, reported as the potential at the cathodic peak current, Ep,c.

e

ΔE = E(+/•) – E(•/−).

f

Reported at room temperature in MeCN.

g

Reported in MeCN as a saturated solution, without a concentration listed.