- Type
- Raman scattering
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν3 (B1g) | B1g | stretching asym. | (CO3)2- | ……C…O-2/3 | accidental degeneracy | accidental double | medium | ||
| ν3 (Ag) | Ag | stretching asym. | (CO3)2- | ……C…O-2/3 | accidental degeneracy | accidental double | medium |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1462 ± 1.5 | - | 4 ± 1.5 | undefined | 0.014 | vw | 0.03 | w | 295.0 | 1 | |||
| 1464 ± 1 | - | 2.5 ± 1 | undefined | 0.013 | vw | 0.03 | w | 80.0 |
- Label
- ν3 (B1g)
- Symmetry
- B1g
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- medium
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | accidental degeneracy | accidental double |
- Primary specie
- (CO3)2-
- Label (type)
- ν3 (stretching asym.) Bond: ……C…O-2/3
- Comments
- C-O asymmetric stretch
Vibration modes
- Label
- ν3 (Ag)
- Symmetry
- Ag
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- medium
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | accidental degeneracy | accidental double |
- Primary specie
- (CO3)2-
- Label (type)
- ν3 (stretching asym.) Bond: ……C…O-2/3
- Comments
- C-O asymmetric 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
- Fit function
- Voigt
- Overlap
- isolated
- Peak
- 1462 ± 1.5 cm-1 (fit peak)
- Evaluation
- validated
- Quality
- B
- Comments
- B1g contribution at 1461.5 cm-1 + Ag at 1463.0 cm-1
- FWHM
- 4 ± 1.5 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- C
- Method
- peak intensity
- Relative intensity
- 0.014 ± 0.006
- Strength
- very weak (vw)
- Evaluation
- undefined
- Quality
- E
- Method
- width x peak intensity
- Relative intensity
- 0.03 ± 0.001
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- B
- 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
- 1464 ± 1 cm-1 (fit peak)
- Evaluation
- validated
- Quality
- B
- FWHM
- 2.5 ± 1 cm-1 (fit fwhm)
- Shape
- undefined
- Evaluation
- validated
- Quality
- C
- Method
- other
- Relative intensity
- 0.013 ± 0.001
- Strength
- very weak (vw)
- Evaluation
- undefined
- Quality
- C
- Method
- fit integrated intensity
- Relative intensity
- 0.03 ± 0.001
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- B