Chemistry Reference
In-Depth Information
Table 11.14
Electron repartition indices calculated by HMO method for different phenols and naphtols atoms
No.
Electronic densities (
ρ
r
)
Free valences (
F
r
)
ρ
1
ρ
2
ρ
3
ρ
4
ρ
7
ρ
11
F
1
F
2
F
3
F
4
F
7
F
11
I
0.9547
1.0400
0.9980
1.0292
1.9400
-
0.1936
0.4162
0.3971
0.4038
1.4836
-
V
0.9513
1.1087
0.9513
1.1087
1.9400
-
0.1899
0.4390
0.1899
0.4390
1.4829
-
VI
0.9442
1.0561
0.9958
1.0407
1.0095
1.9346
0.2400
0.4259
0.4010
0.4583
0.4055
1.4751
VII
1.0566
0.9530
1.0259
0.9957
1.0000
1.9391
0.4721
0.1982
0.4195
0.4504
0.4043
1.4819
