- Title
- 4997.0 cm-1: ν1+2νL of H2 16O and ν3+2νL of H2 16O and ν1+ν2 of H2 16O and ν2+ν3 of H2 16O in H2O - phase Ih
- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν1+2νL | combination | H2 16O | H2O | -16O-1H | no | no | unknown | ||
| ν3+2νL | combination | H2 16O | H2O | -16O-1H | no | no | unknown | ||
| ν1+ν2 | combination vibration | H2 16O | H2O |
-16O-1H H2 16O |
no | no | unknown | ||
| ν2+ν3 | combination vibration | H2 16O | H2O |
H2 16O -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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4949 ± 20 | 260 | undefined | 46 ± 2 | m | 10.0 | |||||||
| 4977 ± 20 | 263 | undefined | 48.1 ± 2 | m | 100.0 | |||||||
| 4997 ± 20 | 256 | undefined | 48.3 ± 2 | 0.002 | m | 140.0 | ||||||
| 5050 ± 10 | 5094 ± 20 | 192.5 | undefined | 46.4 ± 2 | m | 270.0 | 0.005 |
- Label
- ν1+2νL
- 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)
- 2νL (libration)
Vibration modes
Rotation modes
- Label
- ν3+2νL
- 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)
- ν3 (stretching asym.) Bond: -16O-1H
- Comments
- LO
- Label (type)
- 2νL (libration)
Vibration modes
Rotation modes
- Label
- ν1+ν2
- Category
- combination vibration
Evaluation
- Level
- uncertain assignment
- Evaluation
- uncertain
- Contribution level
- unknown
- Contribution comments
- minor contribution ?
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no | no |
- Primary specie
- H2 16O
- Label
- ν2+ν3
- Category
- combination vibration
Evaluation
- Level
- uncertain assignment
- Evaluation
- uncertain
- Comments
- Ockman 1957
- Contribution level
- unknown
- Contribution comments
- minor contribution ?
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no | no |
- Primary specie
- H2 16O
- 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
- 4949 ± 20 cm-1 (fit center)
- Evaluation
- validated
- Quality
- E
- FWHM
- 260 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 46 ± 2 cm-1
- Strength
- medium (m)
- Evaluation
- validated
- Quality
- B
- 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
- strongly blended
- Center
- 4977 ± 20 cm-1 (fit center)
- Evaluation
- validated
- Quality
- E
- FWHM
- 263 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 48.1 ± 2 cm-1
- Strength
- medium (m)
- Evaluation
- validated
- Quality
- B
- 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
- strongly blended
- Center
- 4997 ± 20 cm-1 (fit center)
- Evaluation
- validated
- Quality
- E
- FWHM
- 256 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 48.3 ± 2 cm-1
- Relative intensity
- 0.002 ± 8.0e-05
- Strength
- medium (m)
- Evaluation
- validated
- Quality
- B
- 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
- Peak
- 5050 ± 10 cm-1 (fit peak)
- Center
- 5094 ± 20 cm-1 (fit center)
- Evaluation
- validated
- Quality
- D
- FWHM
- 192.5 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 46.4 ± 2 cm-1
- Strength
- medium (m)
- Evaluation
- validated
- Quality
- B
- 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.