- Type
- Raman scattering
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν1 (Ag) | Ag | stretching sym. | (CO3)2- | ……C…O-2/3 | accidental degeneracy | accidental double | major | ||
| ν1 (B2g) | B2g | stretching sym. | (CO3)2- | ……C…O-2/3 | accidental degeneracy | accidental double | minor |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1085.5 ± 1 | - | 1.8 ± 0.3 | symmetric | 1 | vs | 1 | vs | 295.0 | 1 | |||
| 1087 ± 1 | - | 1.5 ± 0.3 | symmetric | 1 | vs | 1 | vs | 80.0 |
- Label
- ν1 (Ag)
- Symmetry
- Ag
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- major
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | accidental degeneracy | accidental double |
- Primary specie
- (CO3)2-
- Label (type)
- ν1 (stretching sym.) Bond: ……C…O-2/3
- Comments
- C-O symmetric stretch
Vibration modes
- Label
- ν1 (B2g)
- Symmetry
- B2g
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- minor
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | accidental degeneracy | accidental double |
- Primary specie
- (CO3)2-
- Label (type)
- ν1 (stretching sym.) Bond: ……C…O-2/3
- Comments
- C-O 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
- 1085.5 ± 1 cm-1 (various)
- Evaluation
- validated
- Quality
- B
- Comments
- weak B2g contribution at 1085.0 cm-1
- FWHM
- 1.8 ± 0.3 cm-1 (fit fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- B
- Method
- peak intensity
- Relative intensity
- 1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- undefined
- Comments
- peak intensity reference
- Method
- width x peak intensity
- Relative intensity
- 1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- undefined
- Comments
- integrated intensity reference
- Texture
- single crystals and powders
- Temperature
- 80.0 ± 5.0 K
Temperature
- Laser wavelength
- 514.5 nm
- Sample orientation mode
- unoriented
- Method #1
- spectrum fit
- Fit function
- Voigt
- Overlap
- isolated
- Peak
- 1087 ± 1 cm-1 (fit peak)
- Evaluation
- validated
- Quality
- B
- FWHM
- 1.5 ± 0.3 cm-1 (fit fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- B
- Method
- other
- Relative intensity
- 1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- undefined
- Method
- fit integrated intensity
- Relative intensity
- 1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- undefined