Compounds | εLUMO+1 | d(C6-C5)b | TSAc |
20 | 27.22 | 1.551 | 614.5 |
21 | 28.10 | 1.550 | 615.6 |
22 | 28.16 | 1.550 | 626.5 |
23 | 26.51 | 1.551 | 627.4 |
24 | 26.98 | 1.551 | 601.4 |
25 | 25.44 | 1.551 | 618.3 |
26 | 25.56 | 1.551 | 614.9 |
27 | 53.00 | 1.553 | 646.3 |
28 | 55.73 | 1.553 | 642.7 |
29 | 51.36 | 1.553 | 636.7 |
30 | 51.26 | 1.553 | 605.5 |
31 | 42.22 | 1.551 | 605.5 |
32 | 51.14 | 1.551 | 567.8 |
33 | 35.36 | 1.551 | 595.3 |
34 | 50.50 | 1.551 | 624.8 |
35 | 26.76 | 1.551 | 572.9 |