Calculated and experimental adsorption maxima [nm] of π → π* transitions for [(bbt)E]2, [(bbt)E]2˙− (E = Sb, Bi) and 1–417.
| Calculateda | Experimental | |
|---|---|---|
| [(bbt)Sb] | 434 | 490 |
| [(bbt)Sb]2˙− | 728 | 812 |
| 1 | 419 | 430 |
| 3 | 723 | 755 |
| [(bbt)Bi] | 470 | 537 |
| [(bbt)Bi]2˙− | 804 | 805 |
| 2 | 465 | 527 |
| 4 | 849 | >900 |
Calculated for a model system with mesitylene instead of bbt.