Band
Title
1449.0 cm-1: ν CO3 + δ COH (Ag) of (HCO3)- in Kalicinite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν CO3 + δ COH (Ag) Ag stretching asym.
bending in-p
(HCO3)- (HCO3)-
⋝ C-O-H
mode degeneracy double
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)
1449 ± 1 - 15 ± 5 unknown 0.01 vw 295.0 1
Label
ν CO3 + δ COH (Ag)
Symmetry
Ag
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from theoretical WURM database, but strongly shifted
# Multiplicity type Degeneracy Other band
1 mode degeneracy double

Vibration modes

Label (type)
ν C-O3 (stretching asym.)       Bond: (HCO3)-
δ C-O-H (bending in-p)       Bond: ⋝ C-O-H
Comments
deformation: C-O3⁻ asymmetric stretching + C-O-H in-plane bending
Texture
crystal

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
unknown
Peak
1449 ± 1 cm-1 (fit peak)
Evaluation
undefined
Quality
B
FWHM
15 ± 5 cm-1 (fwhm)
Shape
unknown
Evaluation
undefined
Quality
E
Method
baseline corrected peak intensity
Relative intensity
0.01 ± 0.008
Strength
very weak (vw)
Evaluation
undefined
Quality
E