- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν1+νL | combination | H2 16O | H2O | -16O-1H | no | no | unknown | ||
| ν3+νL | combination | H2 16O | H2O | -16O-1H | no | no | unknown |
| Peak position (cm-1) |
Center position (cm-1) |
Width (cm-1) |
Shape | Asymmetry factor | Peak intensity (cm-1) |
Peak intensity relative | Peak strength | Integrated intensity (cm-2) |
Integrated intensity relative | Integrated strength | Temperature (K) |
Pressure (bar) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4242 ± 5 | 157 | undefined | 8.1 ± 0.5 | w | 10.0 | |||||||
| 4242 ± 5 | 158.5 | broad shoulder | 6.85 ± 0.5 | w | 100.0 | |||||||
| 4241 ± 5 | 155.5 | broad shoulder | 6.05 ± 0.5 | 2.5e-04 | w | 140.0 | ||||||
| 4229 ± 5 | 126.5 | undefined | 2.55 ± 0.5 | w | 270.0 | 0.005 |
- Label
- ν1+νL
- Category
- combination
Evaluation
- Level
- partly assigned
- Evaluation
- undefined
- Contribution level
- unknown
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no | no |
- Primary specie
- H2 16O
- Label (type)
- ν1 (stretching sym.) Bond: -16O-1H
- Comments
- out-of-phase
- Label (type)
- νL (libration)
Vibration modes
Rotation modes
- Temperature
- 10.0 ± 10.0 K
- Formation temperature
- 273.0 K
- Temperature max
- 273.0 K
- Comments
- formed from liquid
Temperature
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- strongly blended
- Center
- 4242 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- C
- FWHM
- 157 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 8.1 ± 0.5 cm-1
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- C
- Temperature
- 100.0 ± 10.0 K
- Formation temperature
- 273.0 K
- Temperature max
- 273.0 K
- Comments
- formed from liquid
Temperature
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- shoulder-tail
- Center
- 4242 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- C
- FWHM
- 158.5 cm-1 (fit fwhm)
- Shape
- broad shoulder
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 6.85 ± 0.5 cm-1
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- C
- Temperature
- 140.0 ± 10.0 K
- Formation temperature
- 273.0 K
- Temperature max
- 273.0 K
- Comments
- formed from liquid
Temperature
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- shoulder-tail
- Center
- 4241 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- C
- FWHM
- 155.5 cm-1 (fit fwhm)
- Shape
- broad shoulder
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 6.05 ± 0.5 cm-1
- Relative intensity
- 2.5e-04 ± 2.0e-05
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- C
- Temperature
- 270.0 ± 10.0 K
- Formation temperature
- 273.0 K
- Temperature max
- 273.0 K
- Comments
- formed from liquid
Temperature
- Pressure
- 0.005 bar
Pressure
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- strongly blended
- Center
- 4229 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- C
- FWHM
- 126.5 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 2.55 ± 0.5 cm-1
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- D
- Publication
- SSHADE spectra
-
- Grundy, Will; Schmitt, Bernard (1998): NIR Optical constants spectrum of H2O Ih crystal at 20 K. Version 1. SSHADE/GhoSST (OSUG Data Center). Dataset/Spectral Data.
- Grundy, Will; Schmitt, Bernard (1998): NIR Optical constants spectrum of H2O Ih crystal at 100 K. Version 1. SSHADE/GhoSST (OSUG Data Center). Dataset/Spectral Data.
- Grundy, Will; Schmitt, Bernard (1998): NIR Optical constants spectrum of H2O Ih crystal at 140 K. Version 1. SSHADE/GhoSST (OSUG Data Center). Dataset/Spectral Data.
- Grundy, Will; Schmitt, Bernard (1998): NIR Optical constants spectrum of H2O Ih crystal at 270 K. Version 1. SSHADE/GhoSST (OSUG Data Center). Dataset/Spectral Data.
- Comments
- Ockman thesis 1957