Table 3. Strength of the Diatropic and Paratropic Contributions (in nA·T–1) to the Net MICD Strength Passing Different Planes in Molecule 3 and Its Dicationa.
plane | diatropic | paratropic | net |
---|---|---|---|
Neutral | |||
3A | 6.73 | –8.53 | –1.79 |
3B | 7.46 | –7.74 | –0.28 |
3C | 7.61 | –7.61 | 0.00 |
3D | 7.49 | –7.49 | 0.00 |
3E | 6.23 | –6.23 | 0.00 |
3F | 34.96 | –14.04 | 20.92 |
Dication | |||
3A | 22.35 | –0.28 | 22.06 |
3B | 37.11 | –0.07 | 37.04 |
3C | 7.68 | –7.68 | 0.00 |
3D | 7.57 | –7.57 | 0.00 |
3E | 6.28 | –6.28 | 0.00 |
3F | 33.09 | –14.73 | 18.35 |