Table 5.

Calculated Values for (IE – EA) and Hydrogen-Atom Abstraction Reaction Efficiencies (Eff.) for Several Aryl Radicals and Hydrogen-Atom Donors

radical	hydrogen-atom donor	(IE – EA), eV	Eff. (%)a
a	cyclohexane	7.01	0.0034 ± 0.0008
b	cyclohexane	6.27	0.059 ± 0.011
c	cyclohexane	5.94	0.068 ± 0.019
d	cyclohexane	5.72	0.051 ± 0.004
e	cyclohexane	5.66	0.074 ± 0.007
f	cyclohexane	5.64	0.10 ± 0.03
g	cyclohexane	5.45	0.13 ± 0.04
h	cyclohexane	5.43	0.90 ± 0.01
I	cyclohexane	5.27	0.26 ± 0.04
j	cyclohexane	5.26	1.3 ± 0.3
k	cyclohexane	5.24	2.2 ± 0.5
l	cyclohexane	5.21	0.28± 0.01
m	cyclohexane	5.11	1.7 ± 0.1
n	cyclohexane	4.92	1.2 ± 0.3
o	cyclohexane	4.73	6.6 ± 1.8
p	cyclohexane	4.63	7.0 ± 0.4
q	cyclohexane	4.54	12 ± 2
r	cyclohexane	4.43	11 ± 3
s	cyclohexane	4.21	16 ± 3
t	cyclohexane	4.14	24 ± 1
u	cyclohexane	4.04	20 ± 1
v	cyclohexane	3.86	27 ± 4
w	cyclohexane	3.63	33 ± 2
a	isopropanol	7.13	0.0029 ± 0.0002
b	isopropanol	6.39	0.029 ± 0.001
c	isopropanol	6.06	0.046 ± 0.001
d	isopropanol	5.84	0.060 ± 0.020
e	isopropanol	5.78	0.060 ± 0.013
f	isopropanol	5.76	0.065 ± 0.001
g	isopropanol	5.57	0.15 ± 0.03
h	isopropanol	5.55	0.45 ± 0.01
i	isopropanol	5.39	0.29 ± 0.08
j	isopropanol	5.38	2.0 ± 0.1
k	isopropanol	5.36	0.96 ± 0.07
l	isopropanol	5.33	0.36 ± 0.05
m	isopropanol	5.23	2.8 ± 0.4
n	isopropanol	5.04	1.4 ± 0.2
o	isopropanol	4.85	5.3 ± 0.3
p	isopropanol	4.75	4.7 ± 0.2
q	isopropanol	4.66	11 ± 1
r	isopropanol	4.55	9.9 ± 0.1
s	isopropanol	4.33	20 ± 2
t	isopropanol	4.26	13 ± 2
u	isopropanol	4.16	28 ± 2
v	isopropanol	3.98	24 ± 2
w	isopropanol	3.75	61 ± 1
g	ethanol	5.77	0.043
k	ethanol	5.56	0.30 ± 0.03
l	ethanol	5.53	0.1
n	ethanol	5.24	0.38 ± 0.06
q	ethanol	4.86	4.5 ± 0.7
s	ethanol	4.53	11 ± 1
t	ethanol	4.46	8.2 ± 1.8
b	tetrahydrofuran	5.69	0.29
c	tetrahydrofuran	5.36	0.3
d	tetrahydrofuran	5.14	0.27
e	tetrahydrofuran	5.08	0.31
f	tetrahydrofuran	5.06	0.30
g	tetrahydrofuran	4.87	1
h	tetrahydrofuran	4.85	2
dd	tetrahydrofuran	4.80	3
cc	tetrahydrofuran	4.76	4
i	tetrahydrofuran	4.69	1.1
j	tetrahydrofuran	4.68	8
l	tetrahydrofuran	4.63	2.3
ff	tetrahydrofuran	4.62	2
m	tetrahydrofuran	4.53	9
ee	tetrahydrofuran	4.37	6
bb	tetrahydrofuran	3.96	22
q	tetrahydrofuran	3.96	21
aa	tetrahydrofuran	3.90	25
s	tetrahydrofuran	3.63	26
t	tetrahydrofuran	3.56	22
b	2-methyltetrahydrofuran	5.15	0.62
d	2-methyltetrahydrofuran	4.60	0.80
e	2-methyltetrahydrofuran	4.54	1.0
f	2-methyltetrahydrofuran	4.52	1.0
h	2-methyltetrahydrofuran	4.31	5
i	2-methyltetrahydrofuran	4.15	4.0
j	2-methyltetrahydrofuran	4.14	13
m	2-methyltetrahydrofuran	3.99	16
bb	2-methyltetrahydrofuran	3.42	28
aa	2-methyltetrahydrofuran	3.36	30
s	2-methyltetrahydrofuran	3.09	38
m	diethyl ether	4.43	8.1
m	butyl methyl ether	4.43	14
g	tert-butanol	5.39	0.029
l	tert-butanol	5.15	0.17
q	tert-butanol	4.48	10
s	tert-butanol	4.15	23
g	tributyltin hydride	3.9	39
l	tributyltin hydride	3.7	49
ee	tributyltin hydride	3.4	71
q	tributyltin hydride	3.0	74
s	tributyltin hydride	2.7	89
g	benzeneselenol	4.0	17
l	benzeneselenol	3.8	27
ff	benzeneselenol	3.8	27
ee	benzeneselenol	3.5	38
b	L-alanine	5.8	0.063 ± 0.001
c	L-alanine	5.4	0.084 ± 0.009
f	L-alanine	5.1	0.12 ± 0.005
g	L-alanine	4.9	0.54 ± 0.01
i	L-alanine	4.8	0.96 ± 0.01
l	L-alanine	4.7	1.1 ± 0.01
g	proline	4.1	18
l	proline	3.9	29
s	proline	3.2	43
t	proline	2.8	33
g	glycine	5.1	0.35
l	glycine	4.9	0.3
g	valine	4.42	5
l	valine	4.18	9
g	1,4-dioxane	4.5	5
g	ribose	4.2	4
l	ribose	4.0	6
ff	ribose	4.0	7
q	ribose	3.3	32
s	ribose	3.0	53
g	2-deoxy-D-ribose	4.1	6
l	2-deoxy-D-ribose	3.9	9
ff	2-deoxy-D-ribose	3.9	8
q	2-deoxy-D-ribose	3.2	32
s	2-deoxy-D-ribose	2.9	54
g	1-O-methyl-2-deoxy-D-ribose	4.1	11
l	1-O-methyl-2-deoxy-D-ribose	3.9	19
ff	1-O-methyl-2-deoxy-D-ribose	3.9	20
q	1-O-methyl-2-deoxy-D-ribose	3.2	47
s	1-O-methyl-2-deoxy-D-ribose	2.9	61

^aHydrogen-atom abstraction reaction efficiency = second-order hydrogen-atom abstraction rate constant/collision rate constant (k_exp/k_coll). Uncertainties (where listed) are the standard deviations of the experimental data.