Band
Title
1282.5 cm-1: ν CO3 + δ COH +ν OH (Ag, Bg) of (HCO3)- in Kalicinite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν CO3 + δ COH +ν OH (Ag, Bg) other stretching asym.
bending in-p
stretching 		(HCO3)- (HCO3)-
 ⋝ C-O-H
 -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)
1282.5 ± 1.5 - 34 ± 5 asymmetric 0.25 s 295.0 1
Band assignment #1
Assignment
Label
ν CO3 + δ COH +ν OH (Ag, Bg)
Symmetry
other
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
Primary specie
(HCO3)-

Vibration modes

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

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
slightly blended
Peak
1282.5 ± 1.5 cm-1 (fit peak)
Evaluation
undefined
Quality
B
FWHM
34 ± 5 cm-1 (fwhm)
Shape
asymmetric
Evaluation
undefined
Quality
E
Method
baseline corrected peak intensity
Relative intensity
0.25 ± 0.15
Strength
strong (s)
Evaluation
undefined
Quality
E
Publications
External spectrum