Band
Title
2874.0 cm-1: 2ν3 of (CO3)2- and 2ν14 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
3 stretching asym. (CO3)2- (CO3)2- accidental degeneracy accidental double unknown
14 combination vibration (CO3)2- (CO3)2-
(CO3)2-
accidental degeneracy accidental double 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)
2874 ± 2 - 62 ± 3 asymmetric 0.014 m 295.0 1
Label
3
Category
overtone vibration

Evaluation

Level
fully assigned
Evaluation
validated
Comments
attrib. Hexter_1958
# Multiplicity type Degeneracy Other band
1 accidental degeneracy accidental double
Contribution level
unknown

Vibration modes

Label (type)
ν3 (stretching asym.)       Bond: (CO3)2-
Comments
C-O asymmetric stretch
Label
14
Category
combination vibration

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
attribution SSHADE
# Multiplicity type Degeneracy Other band
1 accidental degeneracy accidental double
Contribution level
unknown

Vibration modes

Label (type)
1 (stretching sym.)       Bond: (CO3)2-
ν4 (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
strongly blended
Peak
2874 ± 2 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
62 ± 3 cm-1 (hwhm)
Shape
asymmetric
Evaluation
validated
Quality
D
Method
baseline corrected peak intensity
Relative intensity
0.014 ± 0.002
Strength
medium (m)
Evaluation
undefined
Quality
D