Band
Title
15750.0 cm-1: 2p(O2-) → 3d(Fe3+) of Fe3+ & O2- in Hematite
Band type
Type
absorption
Assignments 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
Characteristics summary
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)
15750 ± 125 - 3450 ± 250 symmetric 0.53 unknown 0.41 298.0 1
Band assignment #1
Assignment
Label
2p(O2-) → 3d(Fe3+)
Category
electronic transition

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 unknown
Primary specie
Fe3+
Primary specie
O2-

Electronic modes

Label (type)
2p(O2-) → 3d(Fe3+) (ligand-to-metal charge-transfer)

Temperature

Temperature
298.0 ± 1.0 K

Pressure

Pressure
1 bar
Method #1
data compilation
Overlap
shoulder-tail
Peak
15750 ± 125 cm-1 (peak)
Evaluation
validated
Quality
E
FWHM
3450 ± 250 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Quality
E
Method
peak intensity
Relative intensity
0.53 ± 0.05
Strength
Evaluation
undefined
Quality
C
Method
width x peak intensity
Relative intensity
0.41 ± 0.08
Evaluation
validated
Quality
D
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