- Type
- Raman scattering
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν1 (A1g) | A1g | stretching sym. | (C18OO2)2- | ……12C…18O-2/3 | no |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1067 ± 1 | - | 2 ± 0.3 | undefined | 0.006 | vw | 0.0055 | vw | 295.0 | 1 | |||
| 1067.5 ± 0.5 | - | 1.7 ± 0.2 | undefined | 0.008 | vw | 0.01 | vw | 80.0 |
- Label
- ν1 (A1g)
- Symmetry
- A1g
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no |
- Primary specie
- (C18OO2)2-
- Label (type)
- ν1 (stretching sym.) Bond: ……12C…18O-2/3
- Comments
- 12C-18O symmetric stretch
Vibration modes
- Texture
- single crystals and powders
- Temperature
- 295.0 ± 5.0 K
Temperature
- Pressure
- 1 bar
Pressure
- Laser wavelength
- 514.5 nm
- Sample orientation mode
- unoriented
- Method #1
- various
- Overlap
- isolated
- Peak
- 1067 ± 1 cm-1 (various)
- Evaluation
- validated
- Quality
- B
- FWHM
- 2 ± 0.3 cm-1 (various)
- Shape
- undefined
- Evaluation
- undefined
- Quality
- B
- Comments
- in the low frequency wing of the 1086.5 cm-1 band
- Method
- various
- Relative intensity
- 0.006 ± 0.0025
- Strength
- very weak (vw)
- Evaluation
- undefined
- Quality
- E
- Method
- various
- Relative intensity
- 0.0055 ± 0.002
- Strength
- very weak (vw)
- Evaluation
- validated
- Quality
- E
- Texture
- single crystals and powders
- Temperature
- 80.0 ± 5.0 K
Temperature
- Laser wavelength
- 514.5 nm
- Sample orientation mode
- unoriented
- Method #1
- unknown
- Overlap
- isolated
- Peak
- 1067.5 ± 0.5 cm-1 (unknown)
- Evaluation
- validated
- Quality
- A
- FWHM
- 1.7 ± 0.2 cm-1 (unknown)
- Shape
- undefined
- Evaluation
- undefined
- Quality
- A
- Comments
- in the low frequency wing of the 1087 cm-1 band
- Method
- other
- Relative intensity
- 0.008 ± 5.0e-04
- Strength
- very weak (vw)
- Evaluation
- validated
- Quality
- C
- Comments
- from integrated intensity
- Method
- fit integrated intensity
- Relative intensity
- 0.01 ± 0.005
- Strength
- very weak (vw)
- Evaluation
- validated
- Quality
- E
- Publication
- SSHADE spectrum