Band
Title
3174.0 cm-1: 2ν12 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
12 combination vibration (CO3)2- (CO3)2-
(CO3)2-
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)
3174 ± 1 - 25 ± 2 asymmetric 7.5e-05 vw 295.0 1
Label
12
Category
combination vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 unknown

Vibration modes

Label (type)
1 (stretching sym.)       Bond: (CO3)2-
ν2 (deformation sym.)       Bond: (CO3)2-
Comments
C-O symmetric stretch

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
strongly blended
Peak
3174 ± 1 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
25 ± 2 cm-1 (hwhm)
Shape
asymmetric
Evaluation
validated
Quality
D
Method
baseline corrected peak intensity
Relative intensity
7.5e-05 ± 2.0e-05
Strength
very weak (vw)
Evaluation
undefined
Quality
E