Table 3.
Diffusion capacity and structural characteristics of the studied fungicides.
| Fungicide | Diffusion Ability 1 | Volume 2 (cm3/mol) | Dipole 2
(debye) |
|---|---|---|---|
| p-Aminobenzoic acid | 0.205 ± 0.055 a | 91.532 | 2.0528 |
| Carbendazim | 0.138 ± 0.036 ab | 135.058 | 4.3805 |
| Difenoconazole | 0.055 ± 0.032 cd | 285.34 | 6.0014 |
| Dipicolinic acid | 0.029 ± 0.017 cd | 111.23 | 7.7607 |
| Flusilazole | 0 e | 214.571 | 3.6535 |
| Gentamicin | 0 e | 339.397 | 3.1864 |
| Kojic acid | 0.023 ± 0.006 d | 93.169 | 7.233 |
| Prochloraz | 0.057 ± 0.014 c | 240.481 | 6.6457 |
| Quinolinic acid | 0.177 ± 0.020 a | 113.031 | 2.5696 |
| Thiophanate methyl | 0.047 ± 0.019 cd | 248.402 | 6.7427 |
| Thiram | 0.094 ± 0.049 bc | 153.518 | 0.0088 |
1 Differences between means were considered significant when p ≤ 0.05. 2 Volume and dipole debye were calculated using DFT methodology (M06-2X(PCM)/6-311G(d,p)). Minimum energy conformations are shown in Figure 1.