Chemistry Reference
In-Depth Information
2
1-butylpyridinium
tetrafluoroborate
(Py4 BF4, 223.02)
(C
9
H
14
BF
4
N/
203389-28-0)
1.611
19.98
245.8183119
2837.516
0.011931
92.9728
0.025114
0.25
5.35
{-2.16403,
-0.191054,
-0.127256,
1.84572};
E
v
=
0.62909;
LUMO2=
-0.826256
log
10
EC
50
=1.8
3
1-butylpyridinium
bromide
(Py4 Br, 216.2)
(C
9
H
14
BrN/
874-80-6)
2.897
20.53
17.3296020
2389.848
0.004381
96.7465
0.03804
0.629
6.35
{-2.07531,
-0.209704;
-0.108606,
1.757};
E
v
=
-9.19573;
HOMO2=
-10.3186
log
10
EC
50
=1.77
