Band
Title
2596.0 cm-1: 3ν2 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
2 deformation sym. (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)
2596 ± 3 - 45 ± 3 sharp shoulder 0.004 m 295.0 1
Label
2
Category
overtone vibration

Evaluation

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

Vibration modes

Label (type)
2 (deformation sym.)       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
2596 ± 3 cm-1 (peak)
Evaluation
validated
Quality
C
FWHM
45 ± 3 cm-1 (hwhm)
Shape
sharp shoulder
Evaluation
validated
Quality
D
Method
baseline corrected peak intensity
Relative intensity
0.004 ± 0.001
Strength
medium (m)
Evaluation
undefined
Quality
E