Band
Title
1961.0 cm-1: ν12 of (CO3)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν12 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)
1961 ± 2 - 5.5 ± 1 asymmetric 4.0e-04 m 295.0 1
Label
ν12
Category
combination vibration

Evaluation

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

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: (CO3)2-
ν2 (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
slightly blended
Peak
1961 ± 2 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
5.5 ± 1 cm-1 (hwhm)
Shape
asymmetric
Evaluation
validated
Quality
C
Method
peak intensity
Relative intensity
4.0e-04 ± 1.0e-04
Strength
medium (m)
Evaluation
undefined
Quality
E