Table 1.
Water matrix coordinates in the area of the first overtone of water in the near infrared region (1300 to 1600 nm) (based on [5,44,45]).
| WAMACS | Range (nm) | Assignment |
|---|---|---|
| C1 | 1336–1348 | 2ν3: H2O asymmetric stretching vibration |
| C2 | 1360–1366 | OH-·(H2O)1,2,4: Water solvation shell |
| C3 | 1370–1376 | ν1 + ν3: H2O symmetrical stretching vibration and H2O asymmetric stretching vibration |
| C4 | 1380–1388 | OH-·(H2O)1,4: Water solvation shell O2-·(H2O)4: Hydrated superoxide clusters 2ν1: H2O symmetrical stretching vibration |
| C5 | 1398–1418 | Water confined in a local field of ions (trapped water) S0: Free water Water with free OH- |
| C6 | 1421–1430 | Water hydration band H-OH bend and O-H…O |
| C7 | 1432–1444 | S1: Water molecules with 1 hydrogen bond |
| C8 | 1448–1454 | OH-·(H2O)4,5: Water solvation shell |
| C9 | 1458–1468 | S2: Water molecules with 2 hydrogen bonds 2ν2 + ν3: H2O bending and asymmetrical stretching vibration |
| C10 | 1472–1482 | S3: Water molecules with 3 hydrogen bonds |
| C11 | 1482–1495 | S4: Water molecules with 4 hydrogen bonds |
| C12 | 1506–1516 | ν1: H2O symmetrical stretching vibration ν2: H2O bending vibration Strongly bound water |
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