Band
Title
875.0 cm-1: ν2 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν2 A2u deformation sym. (CO3)2- (CO3)2- no
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)
875 ± 3 - 7 ± 1 asymmetric 0.63 vs 295.0 1
Label
ν2
Symmetry
A2u
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no

Vibration modes

Label (type)
ν2 (deformation sym.)       Bond: (CO3)2-
Comments
O-C-O out-of-plane deformation

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
slightly blended
Peak
875 ± 3 cm-1 (various)
Evaluation
validated
Quality
C
Comments
with shoulder around 884 cm-1
FWHM
7 ± 1 cm-1 (hwhm)
Shape
asymmetric
Evaluation
validated
Quality
C
Method
peak intensity
Relative intensity
0.63 ± 0.01
Strength
very strong (vs)
Evaluation
undefined
Quality
A