- Title
- 6654.0 cm-1: 2ν1 out-of-phase of H2 16O and 2ν3 (LO) of H2 16O and ν1+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 |
|---|---|---|---|---|---|---|---|---|---|
| 2ν1 out-of-phase | stretching sym. | H2 16O | H2O | -16O-1H | no | no | unknown | ||
| 2ν3 (LO) | stretching asym. | H2 16O | H2O | -16O-1H | no | no | unknown | ||
| ν1+ν3 | combination vibration | H2 16O | H2O |
-16O-1H -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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 6634 ± 1 | 6664 ± 5 | 134 | undefined | 17 ± 1 | w | 10.0 | ||||||
| 6649 ± 1 | 6675 ± 5 | 157.5 | undefined | 16.5 ± 1 | w | 100.0 | ||||||
| 6654 ± 1 | 6685 ± 5 | 171 | undefined | 16 ± 1 | 6.5e-04 | w | 140.0 | |||||
| 6720 ± 10 | 6745 ± 5 | 218 | undefined | 13.9 ± 1 | w | 270.0 | 0.005 |
- Label
- ν1+ν3
- Category
- combination vibration
Evaluation
- Level
- partly assigned
- Evaluation
- undefined
- Comments
- Ockman 1957
- Contribution level
- unknown
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no | no |
- Primary specie
- H2 16O
- Temperature
- 10.0 ± 10.0 K
- Comments
- condensed above 150K or formed from liquid
Temperature
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- strongly blended
- Peak
- 6634 ± 1 cm-1 (peak)
- Center
- 6664 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- B
- FWHM
- 134 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 17 ± 1 cm-1
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- C
- Temperature
- 100.0 ± 10.0 K
- Comments
- condensed above 150K or formed from liquid
Temperature
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- strongly blended
- Peak
- 6649 ± 1 cm-1 (peak)
- Center
- 6675 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- B
- FWHM
- 157.5 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 16.5 ± 1 cm-1
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- C
- Temperature
- 140.0 ± 10.0 K
- Comments
- condensed above 150K or formed from liquid
Temperature
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- strongly blended
- Peak
- 6654 ± 1 cm-1 (peak)
- Center
- 6685 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- B
- FWHM
- 171 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 16 ± 1 cm-1
- Relative intensity
- 6.5e-04 ± 4.0e-05
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- C
- Temperature
- 270.0 ± 10.0 K
- Comments
- formed from liquid
Temperature
- Pressure
- 0.005 bar
Pressure
- Method #1
- spectrum fit
- Fit function
- Gaussian
- Overlap
- strongly blended
- Peak
- 6720 ± 10 cm-1 (fit peak)
- Center
- 6745 ± 5 cm-1 (fit center)
- Evaluation
- validated
- Quality
- D
- FWHM
- 218 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- undefined
- Method
- fit intensity
- Absorption coefficient
- 13.9 ± 1 cm-1
- Strength
- weak (w)
- Evaluation
- validated
- Quality
- C
- Publications
- 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