- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| 2p(O2-) → 3d(Fe3+) | ligand-to-metal charge-transfer |
Fe3+ O2- |
unknown | full |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 18200 ± 700 | - | 2600 ± 500 | symmetric | 0.81 | unknown | 0.31 | 298.0 | 1 |
- Label
- 2p(O2-) → 3d(Fe3+)
- Category
- electronic transition
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- full
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | unknown |
- Label (type)
- 2p(O2-) → 3d(Fe3+) (ligand-to-metal charge-transfer)
- Comments
- Proposed to be caused by double exciton 2(6A1) → 2(4T1(4G)) by Sherman and Waite (1985). Pailhe et al. (2008) re-evaluated the spectral features and proposed a Fe-O charge transfer attribution instead.
Electronic modes
- Temperature
- 298.0 ± 1.0 K
Temperature
- Pressure
- 1 bar
Pressure
- Method #1
- data compilation
- Overlap
- strongly blended
- Peak
- 18200 ± 700 cm-1 (peak)
- Evaluation
- validated
- Quality
- E
- FWHM
- 2600 ± 500 cm-1 (fit fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- E
- Method
- peak intensity
- Relative intensity
- 0.81 ± 0.05
- Strength
- Evaluation
- undefined
- Quality
- C
- Method
- width x peak intensity
- Relative intensity
- 0.31 ± 0.09
- Evaluation
- validated
- Quality
- E