Band
Title
4966.0 cm-1: ν3+2νL of 1H2 16O and ν23 of 1H2 16O in natural H2O - phase Ih
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν3+2νL combination H2 16O H2O -16O-1H no no unknown
ν23 combination H2 16O H2O H2 16O
-16O-1H
no no 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)
4940 ± 1 4952 ± 20 430 undefined 49 ± 1.5 m 10.0
4954 ± 1 4944 ± 20 434 undefined 51.5 ± 1.5 m 100.0
4966 ± 1 4942 ± 20 438.5 undefined 52 ± 1.5 0.0021 m 140.0
4934 ± 20 481 undefined 47 ± 1.5 m 270.0
Label
ν3+2νL
Category
combination

Evaluation

Level
partly assigned
Evaluation
undefined
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
unknown

Vibration modes

Label (type)
ν3 (stretching asym.)       Bond: -16O-1H
Comments
TO

Rotation modes

Label (type)
L (libration)
Label
ν23
Category
combination

Evaluation

Level
uncertain assignment
Evaluation
uncertain
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
unknown
Contribution comments
minor contribution ?

Vibration modes

Label (type)
ν2 (bending)       Bond: H2 16O
ν3 (stretching asym.)       Bond: -16O-1H

Temperature

Temperature
10.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
strongly blended
Peak
4940 ± 1 cm-1 (peak)
Center
4952 ± 20 cm-1 (fit center)
Evaluation
validated
Quality
B
FWHM
430 cm-1 (fit fwhm)
Shape
undefined
Evaluation
validated
Method
fit intensity
Absorption coefficient
49 ± 1.5 cm-1
Strength
medium (m)
Evaluation
validated
Quality
B

Temperature

Temperature
100.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
strongly blended
Peak
4954 ± 1 cm-1 (peak)
Center
4944 ± 20 cm-1 (fit center)
Evaluation
validated
Quality
B
FWHM
434 cm-1 (fit fwhm)
Shape
undefined
Evaluation
validated
Method
fit intensity
Absorption coefficient
51.5 ± 1.5 cm-1
Strength
medium (m)
Evaluation
validated
Quality
B

Temperature

Temperature
140.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
strongly blended
Peak
4966 ± 1 cm-1 (peak)
Center
4942 ± 20 cm-1 (fit center)
Evaluation
validated
Quality
B
FWHM
438.5 cm-1 (fit fwhm)
Shape
undefined
Evaluation
validated
Method
fit intensity
Absorption coefficient
52 ± 1.5 cm-1
Relative intensity
0.0021 ± 6.0e-05
Strength
medium (m)
Evaluation
validated
Quality
B

Temperature

Temperature
270.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
strongly blended
Center
4934 ± 20 cm-1 (fit center)
Evaluation
validated
Quality
E
FWHM
481 cm-1 (fit fwhm)
Shape
undefined
Evaluation
validated
Method
fit intensity
Absorption coefficient
47 ± 1.5 cm-1
Strength
medium (m)
Evaluation
validated
Quality
B