Band
Title
1415.0 cm-1: ν3 (B3g) of (CO3)2- in Aragonite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν3 (B3g) B3g stretching asym. (CO3)2- ……C…O-2/3 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)
1415 ± 10 - - unknown 5.0e-04 ew 0.0005 ew 295.0 1
1415 ± 2 - - unknown 5.0e-04 ew 0.0005 ew 80.0
Band assignment #1
Assignment
Label
ν3 (B3g)
Symmetry
B3g
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(CO3)2-

Vibration modes

Label (type)
ν3 (stretching asym.)       Bond: ……C…O-2/3
Comments
C-O asymmetric stretch
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
theory
Overlap
isolated
Peak
1415 ± 10 cm-1 (calculated)
Evaluation
undefined
Quality
D
Shape
unknown
Quality
undefined
Method
extrapolated
Relative intensity
5.0e-04 ± 5.0e-04
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
Method
extrapolated
Relative intensity
0.0005 ± 0.0005
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
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
1415 ± 2 cm-1 (calculated)
Evaluation
undefined
Quality
B
Shape
unknown
Quality
undefined
Method
extrapolated
Relative intensity
5.0e-04 ± 5.0e-04
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
Method
fit integrated intensity
Relative intensity
0.0005 ± 0.0005
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
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