Band
Title
1456.0 cm-1: γ CO3 + δ OCO of (HCO3)- in Nahcolite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
γ CO3 + δ OCO unknown combination vibration (HCO3)- (HCO3)-
-O-(-)C(-)-O-
-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)
1456 ± 0.5 - - undefined 0.03 w 295.0 1
Label
γ CO3 + δ OCO
Symmetry
unknown
Category
combination vibration

Evaluation

Level
partly assigned
Evaluation
undefined
Comments
from SSHADE
# Multiplicity type Degeneracy Other band
1 unknown

Vibration modes

Label (type)
γ C-O3 (bending sym. out-p (wagging))       Bond: (HCO3)-
δ O-C-O (bending sym. in-p (scissoring))       Bond: -O-(-)C(-)-O-
ν O-H (stretching)       Bond: -O-H
Comments
C-O3⁻ out-of-plane bending + O-C-O symmetric in-plane bending + O-H stretching
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
isolated
Peak
1456 ± 0.5 cm-1 (various)
Evaluation
undefined
Quality
A
Shape
undefined
Evaluation
undefined
Quality
undefined
Method
baseline corrected peak intensity
Relative intensity
0.03 ± 0.02
Strength
weak (w)
Evaluation
undefined
Quality
E
Comments
theoreticaly not Raman active