Band
Title
1726.5 cm-1: 2ν2 (A1g) of (CO3)2- in Siderite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
2 (A1g) A1g bending sym. out-p (wagging) (CO3)2- (CO3)2- no full
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)
1726.5 ± 1.5 - 17.9667 ± 1 asymmetric 0.023996 w 0.047 w 295.0 1
Label
2 (A1g)
Symmetry
A1g
Category
overtone vibration

Evaluation

Level
fully assigned
Evaluation
undefined
# Multiplicity type Degeneracy Other band
1 no
Contribution level
full

Vibration modes

Label (type)
2 (bending sym. out-p (wagging))       Bond: (CO3)2-
Comments
O-C-O out-of-plane deformation
Texture
single crystals and powders

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
532.0 nm
Sample orientation mode
unoriented
Method #1
spectrum fit
Fit function
Voigt
Overlap
isolated
Peak
1726.5 ± 1.5 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
17.9667 ± 1 cm-1 (fwhm)
Shape
asymmetric
Evaluation
undefined
Quality
C
Method
peak intensity
Relative intensity
0.023996 ± 0.002
Strength
weak (w)
Evaluation
undefined
Quality
C
Method
width x peak intensity
Relative intensity
0.047 ± 0.01
Strength
weak (w)
Evaluation
undefined
Quality
D