Band
Title
5021.5 cm-1: 2ν1+2ν3 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
1+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)
5021.5 ± 13 - 52 ± 1 asymmetric 2.5e-05 vw 295.0 1
Label
1+2ν3
Category
combination vibration

Evaluation

Level
fully assigned
Evaluation
validated
Comments
attrib. Hunt & Salisbury 1971
# Multiplicity type Degeneracy Other band
1 unknown

Vibration modes

Label (type)
1 (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
strongly blended
Peak
5021.5 ± 13 cm-1 (fit peak)
Evaluation
validated
Quality
D
Comments
with broad shoulder around 5085cm-1
FWHM
52 ± 1 cm-1 (hwhm)
Shape
asymmetric
Evaluation
validated
Quality
C
Method
baseline corrected peak intensity
Relative intensity
2.5e-05 ± 5.0e-06
Strength
very weak (vw)
Evaluation
undefined
Quality
D