Band
Title
2995.0 cm-1: 3 (ν CO3 +γ COH) of (HCO3)- in Kalicinite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
3 (ν CO3 +γ COH) stretching sym.
bending out-p 		(HCO3)- (HCO3)-
 ⋝ C-O-H 		unknown
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)
2995 ± 10 - 80 ± 30 shoulder 0.01 vw 295.0 1
Band assignment #1
Assignment
Label
3 (ν CO3 +γ COH)
Category
overtone vibration

Evaluation

Level
partly assigned
Evaluation
undefined
Comments
from SSHADE
# Multiplicity type Degeneracy Other band
1 unknown
Primary specie
(HCO3)-

Vibration modes

Label (type)
ν C-O3 (stretching sym.)       Bond: (HCO3)-
3γ C-O-H (bending out-p)       Bond: ⋝ C-O-H
Comments
deformation: C-O3⁻ sym. stretching + C-O-H out-of-plane bending
Texture
crystal

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
shoulder-tail
Peak
2995 ± 10 cm-1 (fit peak)
Evaluation
undefined
Quality
D
FWHM
80 ± 30 cm-1 (fwhm)
Shape
shoulder
Evaluation
undefined
Quality
E
Method
calculated
Relative intensity
0.01 ± 0.005
Strength
very weak (vw)
Evaluation
undefined
Quality
E
Comments
estimated from WURM theoretical calculations
Publication