Band
Title
2217.0 cm-1: ν23 of (CO3)2- and ν2+2ν4 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν23 combination vibration (CO3)2- (CO3)2-
(CO3)2-
unknown
ν2+2ν4 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)
2217 ± 3 - 20.8 ± 3 sharp shoulder 2.0e-04 w 295.0 1
Label
ν23
Category
combination vibration

Evaluation

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

Vibration modes

Label (type)
ν2 (deformation sym.)       Bond: (CO3)2-
ν3 (stretching asym.)       Bond: (CO3)2-
Comments
C-O symmetric stretch
Label
ν2+2ν4
Category
combination vibration

Evaluation

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

Vibration modes

Label (type)
ν2 (deformation sym.)       Bond: (CO3)2-
4 (deformation 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
2217 ± 3 cm-1 (peak)
Evaluation
validated
Quality
C
FWHM
20.8 ± 3 cm-1 (hwhm)
Shape
sharp shoulder
Evaluation
validated
Quality
D
Method
peak intensity
Relative intensity
2.0e-04 ± 5.0e-05
Strength
weak (w)
Evaluation
undefined
Quality
E