Table 10.
Experimental ΔH's, and O...O distance and estimated ΔE's (kcal/mol) and O...O distances at the PES minimum for water dimer.
| Authors | ΔE | ΔH (degrees K) | O...O (PES) | O...O (exper) | Method | ref |
|---|---|---|---|---|---|---|
| Curtiss et al. | -5.44 ± 0.7 | -3.59 ± 0.50a (353-393) | - | - | Thermal conductivity | 58 |
| -5.40 ± 0.5b | -3.66 ± 0.50a | - | - | 58 | ||
| Kawasaki et. al. | - | -3.24 ± 0.94 (298) | - | - | Pressure Broadening | 65 |
| Gilbert et. al. | - | -5.2 ± 1.5 | - | - | Infrared Absorption | 59 |
| Sizov et. al. | - | -4.55 (284-353) | - | - | Infrared Absorption | 62 |
| Gorbaty et. al. | - | -3.98 ± 0.90 (573-723) | - | - | Infrared Absorption | 61 |
| Ikawa et. al. | - | 3.6 ± 0.7 (373-673) | - | - | Infrared Absorption | 63 |
| Cormier et. al. | - | -3.80 ± 0.07 (273-315) | - | - | Infrared Absorption | 60 |
| Saykally et. al. | -4.91b | -3.46a | 2.924b | 2.94 ± 0.03b | VRT(ASP-W) | 66 |
| Saykally et. al. | -4.85b | -3.40a | 2.952b | 2.99 ± 0.20b | VRT(ASP-W)II | 67 |
| -4.92b | - 3.47a | - | - | VRT(ASP-W)III | 67 | |
| Saykally et. al. | -4.80 | -3.74k (375) | - | - | VRT(ASP-W)III | 64 |
| Dyke et. al. | - | - | 2.952b | 2.976 (+0.000, -0.030) | Molecular beam electric resonance spectroscopy | 69 |
| Dyke et. al. | - | - | 2.946b | 2.98 ± 0.01 | Molecular beam electric resonance spectroscopy | 58 |
a
Deuterated water dimer
b
Corrected for anharmonicity