Band
Title
1682.5 cm-1: ν CO3 + δ COH (Ag) of (HCO3)- and ν CO3 + δ COH (Bg) of (HCO3)- in Nahcolite
Band type
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
ν CO3 + δ COH (Bg) Bg 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)
1682.5 ± 4 - - undefined 0.009 vw 295.0 1
Band assignment #1
Assignment
Label
ν CO3 + δ COH (Ag)
Symmetry
Ag
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
From WURM database
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Contribution comments
broad band including both modes shifted by ~20cm-1
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
Comments
deformation: C-O3⁻ asymmetric stretching + C-O-H in-plane bending
Label
ν CO3 + δ COH (Bg)
Symmetry
Bg
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
From WURM database
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Contribution comments
broad band including both modes shifted by ~20cm-1
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
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
Laser wavelength
532.0 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
slightly blended
Peak
1682.5 ± 4 cm-1 (various)
Evaluation
undefined
Quality
C
Shape
undefined
Evaluation
undefined
Quality
undefined
Method
baseline corrected peak intensity
Relative intensity
0.009 ± 0.003
Strength
very weak (vw)
Evaluation
undefined
Quality
E
Publication
External spectrum