Band
Title
677.0 cm-1: δ OCO (Ag) of (HCO3)- and δ OCO (Bg) of (HCO3)- in Kalicinite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
δ OCO (Ag) Ag bending sym. in-p (scissoring) (HCO3)- O=C(-)-O- no
δ OCO (Bg) Bg bending sym. in-p (scissoring) (HCO3)- O=C(-)-O- 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)
677 ± 1.5 - 5.5 ± 1 asymmetric 0.1 m 295.0 1
Band assignment #1
Assignment
Label
δ OCO (Ag)
Symmetry
Ag
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from theoretical WURM database
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(HCO3)-

Vibration modes

Label (type)
δ O=C-O (bending sym. in-p (scissoring))       Bond: O=C(-)-O-
Comments
O=C-O in-plane bending
Label
δ OCO (Bg)
Symmetry
Bg
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from theoretical WURM database
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(HCO3)-

Vibration modes

Label (type)
δ O=C-O (bending sym. in-p (scissoring))       Bond: O=C(-)-O-
Comments
O=C-O in-plane bending
Texture
crystal

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
isolated
Peak
677 ± 1.5 cm-1 (fit peak)
Evaluation
undefined
Quality
B
FWHM
5.5 ± 1 cm-1 (fwhm)
Shape
asymmetric
Evaluation
undefined
Quality
C
Method
baseline corrected peak intensity
Relative intensity
0.1 ± 0.01
Strength
medium (m)
Evaluation
undefined
Quality
D
Publications
External spectrum