- Title
- 1030.0 cm-1: ν CO3 + γ COH (Bg) of (HCO3)- and ν CO3 + γ COH (Ag) of (HCO3)- in Kalicinite
- Type
- Raman scattering
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν CO3 + γ COH (Bg) | Bg |
stretching sym. bending out-p |
(HCO3)- |
(HCO3)- ⋝ C-O-H |
no | ||||
| ν CO3 + γ COH (Ag) | Ag | stretching sym. | (HCO3)- | (HCO3)- | 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1030 ± 1.5 | - | 9 ± 1 | asymmetric low frequency wing | 1 | vs | 295.0 | 1 |
- Label
- ν CO3 + γ COH (Bg)
- Symmetry
- Bg
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- undefined
- Comments
- from theoretical WURM database
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no |
- Primary specie
- (HCO3)-
- Label
- ν CO3 + γ COH (Ag)
- Symmetry
- Ag
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- undefined
- Comments
- from theoretical WURM database
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no |
- Primary specie
- (HCO3)-
- Label (type)
- ν C-O3 (stretching sym.) Bond: (HCO3)-
- Comments
- deformation: C-O3⁻ symmetric stretching + C-O-H out-of-plane bending
Vibration modes
- Texture
- crystal
- Temperature
- 295.0 ± 5.0 K
Temperature
- Pressure
- 1 bar
Pressure
- Method #1
- various
- Overlap
- isolated
- Peak
- 1030 ± 1.5 cm-1 (fit peak)
- Evaluation
- undefined
- Quality
- B
- FWHM
- 9 ± 1 cm-1 (fwhm)
- Shape
- asymmetric low frequency wing
- Evaluation
- undefined
- Quality
- C
- Method
- baseline corrected peak intensity
- Relative intensity
- 1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- undefined