Table 1 Calculated DPSH, relative DPSH, VSS, and Esc values of the studied radicals.
Entry | DPSH/kJ mol−1 | Relative value/− | \({{\bf{E}}}_{{\bf{s}}}^{{\bf{c}}}\)/− | VSS/Å3 | Entry | DPSH/kJ mol−1 | Relative value/− | \({{\bf{E}}}_{{\bf{s}}}^{{\bf{c}}}\)/− | VSS/Å3 |
|---|---|---|---|---|---|---|---|---|---|
1 | 23.6 (11.0) | 1.00 (1.00) | — | — | 21 | 49.6 (28.9) | 2.10 (2.61) | — | 12.5 |
2 | 37.8 | 1.60 | — | — | 22 | 71.7 (52.2) | 3.04 (4.73) | — | 14.6 |
3 | 59.9 | 2.54 | — | — | 23 | 31.9 | 1.35 | — | 10.2 |
4 | 99.2 | 4.21 | — | — | 24 | 72.4 | 3.07 | — | 14.2 |
5 | 57.8 | 2.45 | −4.20 | 14.2 | 25 | 33.4 | 1.41 | −2.94 | 10.8 |
6 | 71.1 | 3.01 | −6.20 | 18.2 | 26 | 33.3 | 1.41 | — | 10.8 |
7 | 61.5 | 2.61 | −5.00 | 15.4 | 27 | 29.8 | 1.26 | — | 10.2 |
8 | 71.3 | 3.02 | −4.20 | 14.4 | 28 | 23.4 | 0.990 | — | 6.83 |
9 | 71.3 | 3.02 | −4.20a | 14.4 | 29 | 57.3 | 2.43 | −4.20 | 14.4 |
10 | 71.2 | 3.02 | −4.20a | 14.4 | 30 | 68.5 | 2.90 | −6.20 | 17.4 |
11 | 71.2 | 3.02 | −4.20 | 14.4 | 31 | 44.3 | 1.88 | — | 11.6 |
12 | 70.1 | 2.97 | −4.20 | 14.3 | 32 | 69.5 | 2.95 | — | 14.0 |
13 | 80.8 | 3.43 | −5.21 | 15.8 | 33 | 45.8 | 1.94 | — | 8.68 |
14 | 92.1 | 3.90 | −6.20 | 17.2 | 34 | 46.0 | 1.95 | — | 8.72 |
15 | 78.4 | 3.33 | −5.00 | 15.5 | 35 | 45.9 | 1.94 | — | 8.69 |
16 | 77.5 | 3.29 | — | 15.3 | 36 | 45.5 | 1.93 | — | 8.72 |
17 | 63.2 | 2.68 | — | 15.4 | 37 | 39.0 | 1.65 | — | 11.1 |
18 | 62.3 | 2.64 | — | 15.5 | 38 | 58.3 | 2.47 | — | 13.8 |
19 | 62.5 | 2.65 | — | 14.9 | 39 | 75.4 | 3.19 | −4.20 | 14.1 |
20 | 32.5 (12.6) | 1.38 (1.14) | — | 10.5 | 40 | 97.9 | 4.15 | — | 16.5 |
41 | 23.4 | 0.992 | — | — | |||||
42 | 23.9 | 1.01 | — | — | |||||
43 | 90.9 | 3.85 | — | — |
