Table 2.
Mulliken charges on nitrogen atoms of 2a–k, 2n.
| Diamine | Mulliken Charges on Nitrogen Atoms a | |
|---|---|---|
| N1 | N2 | |
| 2a | −0.086 | −0.072 |
| 2b | −0.117 | −0.060 |
| 2c | −0.090 | −0.097 |
| 2d | −0.033 | −0.006 |
| 2e | −0.076 | −0.118 |
| 2f | −0.077 | −0.077 |
| 2g | −0.077 | −0.092 |
| 2h | −0.107 | 0.015 |
| 2i | −0.100 | −0.034 |
| 2j | −0.121 | 0.003 |
| 2k | −0.034 | −0.084 |
| 2n | −0.101 b | 0.041 c |
a Numbering of nitrogen atoms in the substituted benzenes corresponds to IUPAC rules; b charge on the nitrogen atom at position 3 of 3,4-diaminobenzoic acid; c charge on the nitrogen atom at position 4 of 3,4-diaminobenzoic acid.