Band
Title
1816.0 cm-1: ν CO3 + γ 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
ν CO3 + γ CO3 + γ COH combination vibration (HCO3)- (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)
1816 ± 1.5 - 40 ± 10 symmetric 0.01 vw 295.0 1
Band assignment #1
Assignment
Label
ν CO3 + γ CO3 + γ COH
Category
combination vibration

Evaluation

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

Vibration modes

Label (type)
γ C-O3 (bending sym. out-p (wagging))       Bond: (HCO3)-
ν C-O3 (stretching sym.)       Bond: (HCO3)-
γ C-O-H (bending out-p)       Bond: ⋝ C-O-H
Comments
deformation: C-O3⁻ out-of-plane bending + C-O3⁻ symmetric 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
isolated
Peak
1816 ± 1.5 cm-1 (fit peak)
Evaluation
undefined
Quality
B
FWHM
40 ± 10 cm-1 (fwhm)
Shape
symmetric
Evaluation
undefined
Quality
E
Method
calculated
Relative intensity
0.01 ± 0.002
Strength
very weak (vw)
Evaluation
undefined
Quality
D
Comments
estimated from WURM theoretical calculations
Publication
External spectrum