- Type
- absorption
- Assignments summary
- Characteristics summary
Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
---|---|---|---|---|---|---|---|---|---|
ν1+ν4 | combination vibration | (CO3)2- |
(CO3)2- (CO3)2- |
accidental degeneracy | accidental double | unknown | |||
νT(A1u)+νL(A2u)+νL(Eu) | other | combination | (CO3)2- | accidental degeneracy | accidental double | 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) |
---|---|---|---|---|---|---|---|---|---|---|---|---|
1797 ± 5 | - | 15 ± 0.5 | asymmetric | 0.049 | s | 295.0 | 1 |
- Label
- ν1+ν4
- Category
- combination vibration
Evaluation
- Level
- fully assigned
- Evaluation
- undefined
- Comments
- attribution SSHADE
- Contribution level
- unknown
# | Multiplicity type | Degeneracy | Other band |
---|---|---|---|
1 | accidental degeneracy | accidental double |
- Primary specie
- (CO3)2-
- Label
- νT(A1u)+νL(A2u)+νL(Eu)
- Symmetry
- other
- Category
- combination
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- unknown
# | Multiplicity type | Degeneracy | Other band |
---|---|---|---|
1 | accidental degeneracy | accidental double |
- Primary specie
- (CO3)2-
- Label (type)
- νL (hindered rotation)
- νL (hindered rotation)
- Comments
- (A_{2u} - CO32- libration, Ca2+ rotation
- Label (type)
- νT (translation)
Rotation modes
Phonon modes
- Temperature
- 295.0 ± 5.0 K
Temperature
- Pressure
- 1 bar
Pressure
- Method #1
- various
- Overlap
- strongly blended
- Peak
- 1797 ± 5 cm-1 (fit peak)
- Evaluation
- validated
- Quality
- C
- FWHM
- 15 ± 0.5 cm-1 (hwhm)
- Shape
- asymmetric
- Evaluation
- validated
- Quality
- B
- Method
- peak intensity
- Relative intensity
- 0.049 ± 0.005
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- D