Table 2.
Total dipole moment (TDM, Debye) and polarizability (a.u.) of compounds 1, 2a–2i, and 3 in gas and DMSO phase.
| TDM (Debye) | Poarizability (a.u.) | |||
|---|---|---|---|---|
| Gas | DMSO | Gas | DMSO | |
| 1 | 6.065195 | 8.493078 | 297.952333 | 426.900333 |
| 2a | 2.344491 | 2.845015 | 390.906000 | 544.926000 |
| 2b | 4.729037 | 7.707679 | 392.962667 | 566.809667 |
| 2c | 4.129357 | 6.356844 | 406.346333 | 575.203667 |
| 2d | 4.139901 | 6.826145 | 414.825000 | 583.901333 |
| 2e | 4.940255 | 5.744489 | 398.512333 | 570.599667 |
| 2f | 4.457764 | 6.355199 | 316.819000 | 449.312667 |
| 2g | 4.704591 | 6.708660 | 346.262333 | 494.148333 |
| 2h | 3.521442 | 4.870226 | 310.165667 | 443.582000 |
| 2i | 4.191847 | 5.592133 | 337.852333 | 478.053000 |
| 3 | 3.942256 | 2.836104 | 282.989667 | 414.438667 |