| Molecule |
Charge |
Chemical Hardness |
Electronegativity |
Electrophilicity |
Nucleophilicity |
| |
-1 |
10.33 |
3.91 |
0.74 |
1.352 |
| CH3 |
0 |
12.07 |
6.9 |
1.973 |
0.507 |
| |
1 |
13.8 |
9.91 |
3.558 |
0.281 |
| |
-1 |
10.97 |
2.77 |
0.349 |
2.865 |
| NH2 |
0 |
13.38 |
7.21 |
1.942 |
0.515 |
| |
1 |
15.78 |
11.66 |
4.307 |
0.232 |
| |
-1 |
10.45 |
3.19 |
0.486 |
2.057 |
| NO2 |
0 |
12.94 |
7.47 |
2.156 |
0.464 |
| |
1 |
15.42 |
11.75 |
4.476 |
0.224 |
| |
-1 |
10.88 |
4.32 |
0.857 |
1.167 |
| NO3 |
0 |
12.75 |
7.49 |
2.2 |
0.455 |
| |
1 |
14.62 |
10.65 |
3.879 |
0.258 |
| |
-1 |
8.84 |
1.12 |
0.071 |
14.08 |
| OH |
0 |
12.5 |
7.37 |
2.173 |
0.46 |
| |
1 |
16.2 |
13.62 |
5.725 |
0.175 |
| |
-1 |
8.69 |
0.78 |
0.035 |
28.57 |
| CN |
0 |
12.06 |
6.69 |
1.856 |
0.538 |
| |
1 |
15.43 |
12.61 |
5.153 |
0.194 |
| |
-1 |
8.54 |
3.04 |
0.541 |
1.848 |
| SCN |
0 |
10.73 |
6.49 |
1.963 |
0.509 |
| |
1 |
12.91 |
9.94 |
3.827 |
0.262 |
| |
-1 |
9.94 |
4.16 |
0.87 |
1.149 |
| COOH |
0 |
11.71 |
7.08 |
2.14 |
0.467 |
| |
1 |
13.48 |
10 |
3.709 |
0.269 |
| |
-1 |
9.97 |
4.87 |
1.189 |
0.841 |
| SO3H |
0 |
11.4 |
7.12 |
2.223 |
0.449 |
| |
1 |
12.84 |
9.36 |
3.411 |
0.293 |
| |
-1 |
8.57 |
4.79 |
1.339 |
0.746 |
| SO2Cl |
0 |
10.39 |
7.33 |
2.586 |
0.387 |
| |
1 |
12.23 |
9.89 |
3.999 |
0.25 |
|
