Band
Title
3942.0 cm-1: ν1+2ν3 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν1+2ν3 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)
3942 ± 2 - 52 ± 2 asymmetric 7.5e-04 w 295.0 1
Label
ν1+2ν3
Category
combination vibration

Evaluation

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

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: (CO3)2-
3 (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
moderately blended
Peak
3942 ± 2 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
52 ± 2 cm-1 (hwhm)
Shape
asymmetric
Evaluation
validated
Quality
D
Method
baseline corrected peak intensity
Relative intensity
7.5e-04 ± 2.0e-04
Strength
weak (w)
Evaluation
undefined
Quality
E