Table 2. Hydrodynamic radii estimated from 1H-DOSY experiments (rH) and computed with the SMD-M06-2x/6-311G++(2d,2p) approximation (rcalc). The values are reported in angstroms.
Compound | r H a | r calc |
A1 | 3.49 | 4.04 |
A2 | 3.57 | 3.96 |
A4 | 4.16 | 4.29 |
A5 | 4.01 | 4.33 |
A6 | 3.77 | 5.30 |
A7 | 4.11 | 5.33 |
I1 | 4.33 | 4.46 |
I2 | 5.52 | 5.81 |
I3 | 5.04 | 6.18 |
I4 | 3.39 | 4.03 |
I5 | 5.12 | 6.30 |
I8 | 10.58 | 9.67 |
aTMS as an internal standard reference.23