- Type
- Raman scattering
- Assignments summary
- Characteristics summary
Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
---|---|---|---|---|---|---|---|---|---|
ν4 (Ag) | Ag | bending asym. in-p (rocking) | (CO3)2- | (CO3)2- | accidental degeneracy | accidental double | major | ||
ν4 (B1g) | B1g | bending asym. in-p (rocking) | (CO3)2- | (CO3)2- | 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) |
---|---|---|---|---|---|---|---|---|---|---|---|---|
705.5 ± 1 | - | 2.5 ± 0.5 | symmetric | 0.05 | w | 0.07 | m | 295.0 | 1 | |||
705 ± 1 | - | 1.7 ± 0.3 | symmetric | 0.08 | m | 0.095 | m | 80.0 |
- Label
- ν4 (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)
- ν4 (bending asym. in-p (rocking)) Bond: (CO3)2-
- Comments
- O-C-O in-plane deformation
Vibration modes
- Label
- ν4 (B1g)
- Symmetry
- B1g
- 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)
- ν4 (bending asym. in-p (rocking)) Bond: (CO3)2-
- Comments
- O-C-O in-plane deformation
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
- moderately blended
- Peak
- 705.5 ± 1 cm-1 (various)
- Evaluation
- validated
- Quality
- B
- Comments
- weak B1g contribution at 705.7cm-1
- FWHM
- 2.5 ± 0.5 cm-1 (fit fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- B
- Method
- peak intensity
- Relative intensity
- 0.05 ± 0.025
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- E
- Method
- width x peak intensity
- Relative intensity
- 0.07 ± 0.03
- Strength
- medium (m)
- Evaluation
- undefined
- 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
- spectrum fit
- Fit function
- Voigt
- Overlap
- isolated
- Peak
- 705 ± 1 cm-1 (fit peak)
- Evaluation
- validated
- Quality
- B
- FWHM
- 1.7 ± 0.3 cm-1 (fit fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- B
- Method
- other
- Relative intensity
- 0.08 ± 0.001
- Strength
- medium (m)
- Evaluation
- undefined
- Quality
- A
- Method
- fit integrated intensity
- Relative intensity
- 0.095 ± 0.001
- Strength
- medium (m)
- Evaluation
- undefined
- Quality
- A