Appendix II


Alpha Values for Kappa Shape Indexes

In the computation of Kappa shape indexes for the m indexes, parameter values are used for each atom, relative to a tetrahedral saturated carbon atom. These parameters are called the alpha values. See Chapter 2 for a discussion of the kappa indexes and the alpha value.

KAPPA ALPHA VALUES

Atomic Number Atomic Symbol sp3 sp2 sp
1 H -0.52
5 B 0.052
6 C 0.00 -0.13 -0.22
7 N -0.04 -0.20 -0.29
8 O -0.04 -0.20
9 F -0.07
13 Al 0.69
14 Si 0.53
15 P 0.43 0.30 0.20
16 S 0.35 0.22 0.15
17 Cl 0.29
31 Ga 0.56
32 Ge 0.56
33 As 0.58
34 Se 0.52
35 Br 0.48
50 Sn 0.83
51 Sb 0.83
52 Te 0.78
53 I 0.73