Band shift and the energy of ties | Pectin | Pectinate Cu2+ | Pectinate Ni2+ | Pectinate Co2+ | Pectinate Zn2+ | Pectinate Mn2+ | Pectinate Pb2+ | Pectinate Fe2+ | Pectinate Cr3+ |
Band shift compared to pectin, cm−1 | 3450 | +110 | +78 | +80 | +80 | +65 | +60 | +2 | +22 |
3415 | +25 | +15 | +15 | - | +5 | +7 | - | +15 | |
3380 | +54 | +10 | +15 | +15 | +20 | +5 | +1 | +16 | |
3350 | +4 | +8 | +10 | +13 | +1 | +5 | +2 | +26 | |
3275 | +20 | +5 | +10 | +7 | +15 | +25 | -17 | +20 | |
3241 | +9 | - | - | - | +2 | - | - | +4 | |
3180 | +12 | +5 | +8 | +10 | +4 | - | +5 | +10 | |
Calculated energy of hydrogen bonds, kJ/mole (absorption bands ОН of groups, cm−1) | 5.68 (3450) | 2.32 | 3.30 | 3.24 | 3.24 | 3.70 | 3.85 | 5.62 | 5.01 |
6.75 (3415) | 5.99 | 6.30 | 6.30 | 6.75 | 6.60 | 6.54 | 6.75 | 6.30 | |
7.82 (3380) | 6.17 | 7.52 | 7.36 | 7.36 | 8.43 | 7.67 | 7.79 | 7.33 | |
8.74 (3350) | 8.62 | 8.50 | 8.43 | 8.34 | 8.71 | 8.59 | 8.68 | 7.95 | |
11.03 (3275) | 10.42 | 10.88 | 10.73 | 10.82 | 10.57 | 10.27 | 11.55 | 10.42 | |
12.07 (3241) | 11.80 | - | - | - | 12.01 | - | - | 11.95 | |
13.93 (3180) | 13.57 | 13.78 | 13.69 | 13.63 | 13.81 | 13.93 | 13.78 | 13.63 | |
Energy decrease of hydrogen bonds compared to pectin, kJ/mole |
| 3.36 | 2.38 | 2.44 | 2.44 | 1.98 | 1.83 | 0.06 | 0.67 |
0.76 | 0.45 | 0.45 | - | 0.15 | 0.21 | - | 0.45 | ||
1.65 | 0.30 | 0.46 | 0.46 | 0.61 | 0.15 | 0.03 | 0.49 | ||
0.12 | 0.24 | 0.31 | 0.40 | 0.03 | 0.15 | 0.06 | 0.79 | ||
0.61 | 0.15 | 0.30 | 0.21 | 0.46 | 0.76 | 0.52 | 0.61 | ||
0.27 | - | - | - | 0.06 | - | - | 0.12 | ||
0.36 | 0.15 | 0.24 | 0.30 | 0.12 | - | 0.15 | 0.30 |