Band
Title
4352.0 cm-1: ν1+2ν23 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν1+2ν23 combination vibration (CO3)2- (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)
4352 ± 2 - 100 ± 43 sharp shoulder 2.0e-04 vw 295.0 1
Label
ν1+2ν23
Category
combination vibration

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
attribution SSHADE
# Multiplicity type Degeneracy Other band
1 unknown

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: (CO3)2-
2 (deformation sym.)       Bond: (CO3)2-
ν3 (stretching asym.)       Bond: (CO3)2-
Comments
C-O symmetric stretch

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
shoulder-tail
Peak
4352 ± 2 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
100 ± 43 cm-1 (hwhm)
Shape
sharp shoulder
Evaluation
validated
Quality
E
Method
baseline corrected peak intensity
Relative intensity
2.0e-04 ± 5.0e-05
Strength
very weak (vw)
Evaluation
undefined
Quality
E