Table 5.
The comparative orbital electronegativities and the absolute chemical actions for C, N and O atoms [100,101]. All values are in electron-Volts [eV].
| Orbital (Hybrid) | s | p | sp | sp2 | sp3 | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Element | Chemical Information | Basis Set | Path Integral | Basis Set | Path Integral | Basis Set | Path Integral | Basis Set | Path Integral | Basis Set | Path Integral |
| C | Mulliken-Jaffe’s Electronegativity | 8.59 | 5.80 | 10.39 | 8.79 | 7.98 | |||||
| Electronegativity Chemical Action |
8.58 8.44 |
8.56 8.69 |
3.11 3.11 |
4.04 4.1 |
10.73 11.43 |
9.89 10.04 |
7.53 7.74 |
6.99 7.1 |
5.77 5.83 |
5.71 5.71 |
|
| N | Mulliken-Jaffe’s Electronegativity | 11.21 | 7.39 | 15.68 | 12.87 | 11.54 | |||||
| Electronegativity Chemical Action |
9.77 8.95 |
10.13 9.73 |
5.09 4.80 |
6.14 5.9 |
16.97 17.99 |
17.54 16.86 |
11.88 12.34 |
12.40 11.92 |
9.21 9.35 |
10.13 9.73 |
|
| O | Mulliken-Jaffe’s Electronegativity | 14.39 | 9.65 | 27.25 | 17.07 | 15.25 | |||||
| Electronegativity Chemical Action |
12.41 10.72 |
11.87 10.93 |
8.06 7.35 |
8.39 7.73 |
27.06 28.07 |
27.40 25.23 |
18.54 19.48 |
19.38 17.84 |
14.48 14.84 |
15.82 14.57 |
|