Band
Title
848.0 cm-1: ν2 of (C18OO2)2- in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν2 A2u deformation sym. (C18OO2)2- (C18OO2)2- 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)
848 ± 2 - 15.5 ± 2 asymmetric 0.018 m 295.0 1
Label
ν2
Symmetry
A2u
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no

Vibration modes

Label (type)
ν2 (deformation sym.)       Bond: (C18OO2)2-
Comments
O-C-O out-of-plane deformation

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
slightly blended
Peak
848 ± 2 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
15.5 ± 2 cm-1 (hwhm)
Shape
asymmetric
Evaluation
validated
Quality
D
Method
peak intensity
Relative intensity
0.018 ± 0.002
Strength
medium (m)
Evaluation
undefined
Quality
D