No. | Substituent | ν0(103cm–1) | s(103cm–1) | b(103cm–1) | a(103cm–1) | r a | s b | F c | Solvents used in the calculationd |
---|---|---|---|---|---|---|---|---|---|
1 | H | 21.92 | 1.81 | 0.80 | 0.52 | 0.9789 | 0.078 | 46 | 1–11 |
(±0.180) | (±0.240) | (±0.170) | (±0.100) | ||||||
2 | OH | 21.34 | −0.53 | −0.86 | −0.20 | 0.9417 | 0.099 | 21 | 2–13 |
(±0.155) | (±0.269) | (±0.280) | (±0.191) | ||||||
3 | OCH3 | 23.02 | −0.66 | 0.22 | −0.31 | 0.9614 | 0.037 | 24 | 1–10,13 |
(±0.159) | (±0.089) | (±0.078) | (±0.104) | ||||||
4 | CH3 | 23.02 | −0.44 | −0.19 | −0.24 | 0.8128 | 0.099 | 5 | 1–10,12,13 |
(±0.159) | (±0.222) | (±0.197) | (±0.118) | ||||||
5 | Cl | 21.28 | 2.57 | 0.61 | −0.31 | 0.9802 | 0.081 | 57 | 1–11 |
(±0.183) | (±0.246) | (±0.176) | (±0.098) | ||||||
6 | Br | 21.61 | 2.11 | 0.38 | −0.27 | 0.9703 | 0.085 | 38 | 1–11 |
(±0.194) | (±0.260) | (±0.186) | (±0.104) | ||||||
7 | I | 21.39 | 2.01 | 0.50 | −0.25 | 0.9812 | 0.067 | 52 | 1–9,11 |
(±0.164) | (±0.210) | (±0.147) | (±0.083) | ||||||
8 | F | 21.14 | 3.02 | 0.79 | −0.43 | 0.9738 | 0.113 | 43 | 1–11 |
(±0.256) | (±0.344) | (±0.246) | (±0.138) | ||||||
9 | CN | 24.50 | −1.21 | −0.51 | 0.10 | 0.9862 | 0.042 | 71 | 1–7,10–12 |
(±0.102) | (±0.114) | (±0.097) | (±0.051) | ||||||
10 | COOH | 24.58 | −1.25 | −0.57 | 0.09 | 0.9823 | 0.046 | 64 | 1–7, 9–12 |
(±0.097) | (±0.121) | (±0.098) | (±0.055) | ||||||
11 | COCH3 | 23.73 | −0.92 | −0.23 | −0.16 | 0.9878 | 0.027 | 94 | 1−12 |
(±0.050) | (±0.062) | (±0.057) | (±0.033) | ||||||
12 | NO2 | 27.02 | −5.14 | −1.71 | 0.47 | 0.9735 | 0.176 | 42 | 1–7,9,10,12,13 |
(±0.398) | (±0.533) | (±0.382) | (±0.214) |