Band
Title
272.0 cm-1: νL (B3g) of (CO3)2- in Aragonite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νL (B3g) B3g libration (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)
272 ± 1.5 - 9.3 ± 0.5 unknown 0.007 vw 0.045 w 295.0 1
278.5 ± 1 - 4.5 ± 1 unknown 0.012 vw 0.04 w 80.0
Label
νL (B3g)
Symmetry
B3g
Category
rotation

Evaluation

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

Rotation modes

Label (type)
νL (libration)
Comments
CO32− out-of-plane libration
Texture
single crystals and powders

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
514.5 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
slightly blended
Peak
272 ± 1.5 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
9.3 ± 0.5 cm-1 (fit fwhm)
Shape
unknown
Evaluation
validated
Quality
B
Method
peak intensity
Relative intensity
0.007 ± 0.002
Strength
very weak (vw)
Evaluation
undefined
Quality
E
Method
extrapolated
Relative intensity
0.045 ± 0.001
Strength
weak (w)
Evaluation
undefined
Quality
B
Texture
single crystals and powders

Temperature

Temperature
80.0 ± 5.0 K
Laser wavelength
514.5 nm
Sample orientation mode
unoriented
Method #1
spectrum fit
Fit function
Voigt
Overlap
isolated
Peak
278.5 ± 1 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
4.5 ± 1 cm-1 (fit fwhm)
Shape
unknown
Evaluation
validated
Quality
C
Method
other
Relative intensity
0.012 ± 0.001
Strength
very weak (vw)
Evaluation
undefined
Quality
C
Method
fit integrated intensity
Relative intensity
0.04 ± 0.001
Strength
weak (w)
Evaluation
undefined
Quality
B