Chemistry Reference
In-Depth Information
8
1-hexyl-4-
methylpyridinium
tetrafluoroborate
(Py6-4Me BF4,
265.0986)
(C
12
H
20
BF
4
N
/952429-73-1)
1.711
25.48
282.6013475
3699.581
0.00811223
96.1443
0.0347766
0.343549
4.10282
{-2.17767,
-0.203028,
-0.115282,
1.85936};
E
v
=
3.0060603;
LUMO4=
1.840296
log
10
EC
50
=1.48
9
1-octyl-4-
methylpyridinium
tetrafluoroborate
(Py8-4Me BF4,
293.1516)
(C
14
H
24
BF
4
N
/936239-96-2)
2.562
29.15
201.2906346
4168.459
0.00321114
98.5931
0.0586731
0.8253323
3.64132
{-2.15712,
-0.233936,
-0.0843738,
1.83881};
E
v
=
-0.115113;
LUMO1 =
-0.326829;
Dv =
0.211716;
D
=
1707.60389
log
10
EC
50
=1.22
