Band
Title
315.0 cm-1: νL (A2u) of (CO3)2- & Ca2+ in Calcite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νL (A2u) A2u libration (CO3)2-
Ca2+
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)
315 ± 8 - 44 ± 2 asymmetric 0.935 vs 295.0 1
Label
νL (A2u)
Symmetry
A2u
Category
rotation

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(CO3)2-
Primary specie
Ca2+

Rotation modes

Label (type)
νL (libration)
Comments
CO32- libration, Ca2+ rotation

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
moderately blended
Peak
315 ± 8 cm-1 (various)
Evaluation
validated
Quality
D
FWHM
44 ± 2 cm-1 (fwhm)
Shape
asymmetric
Evaluation
validated
Quality
D
Method
baseline corrected peak intensity
Relative intensity
0.935 ± 0.02
Strength
very strong (vs)
Evaluation
undefined
Quality
B