Skip to main content
. Author manuscript; available in PMC: 2014 Feb 17.
Published in final edited form as: J Phys Chem A. 2012 Dec 11;116(50):12249–12259. doi: 10.1021/jp311388n

Table 2.

Thermochemical properties of HOArCH2 pyX and HOAr-pyX.

X pKa(pyX)a E1/2b(ΔEp)c
-CH2pyX 4-NMe2 18.5 60.16 (0.12)d
4-CH3 14.1 0.40 (0.21)d
He 12.9 0.44 (0.22)
5-CF3 9.5 0.62 (0.12)d
-pyX 4-NMe2 18.5 0.32 (0.09)
4-CH3 14.1 0.53 (0.11)
Hf 12.9 0.58 (0.10)
5-CF3 9.5 0.76 (0.08)
4-NO2 8.7 0.79 (0.09)
a

Estimated, from Ref. 46.

b

vs. Cp2Fe+/0 in MeCN, estimated error is ± 0.02 V.

c

In V, scan rate = 0.2 V/s.

d

Scan rate = 0.1 V/s.

e

Ref. 40.

f

Ref 7.