Band
Title
4241.0 cm-1: ν1L of 1H2 16O and ν3L of 1H2 16O in natural H2O - phase Ih
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν1L combination H2 16O H2O -16O-1H no no unknown
ν3L combination H2 16O H2O -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)
4242 ± 5 157 undefined 8.1 ± 0.5 w 10.0
4242 ± 5 158.5 broad shoulder 6.85 ± 0.5 w 100.0
4241 ± 5 155.5 broad shoulder 6.05 ± 0.5 2.5e-04 w 140.0
4229 ± 5 126.5 undefined 2.55 ± 0.5 w 270.0
Label
ν1L
Category
combination

Evaluation

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

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: -16O-1H
Comments
out-of-phase

Rotation modes

Label (type)
νL (libration)
Label
ν3L
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
LO

Rotation modes

Label (type)
νL (libration)

Temperature

Temperature
10.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
strongly blended
Center
4242 ± 5 cm-1 (fit center)
Evaluation
validated
Quality
C
FWHM
157 cm-1 (fit fwhm)
Shape
undefined
Evaluation
validated
Method
fit intensity
Absorption coefficient
8.1 ± 0.5 cm-1
Strength
weak (w)
Evaluation
validated
Quality
C

Temperature

Temperature
100.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
shoulder-tail
Center
4242 ± 5 cm-1 (fit center)
Evaluation
validated
Quality
C
FWHM
158.5 cm-1 (fit fwhm)
Shape
broad shoulder
Evaluation
validated
Method
fit intensity
Absorption coefficient
6.85 ± 0.5 cm-1
Strength
weak (w)
Evaluation
validated
Quality
C

Temperature

Temperature
140.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
shoulder-tail
Center
4241 ± 5 cm-1 (fit center)
Evaluation
validated
Quality
C
FWHM
155.5 cm-1 (fit fwhm)
Shape
broad shoulder
Evaluation
validated
Method
fit intensity
Absorption coefficient
6.05 ± 0.5 cm-1
Relative intensity
2.5e-04 ± 2.0e-05
Strength
weak (w)
Evaluation
validated
Quality
C

Temperature

Temperature
270.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
strongly blended
Center
4229 ± 5 cm-1 (fit center)
Evaluation
validated
Quality
C
FWHM
126.5 cm-1 (fit fwhm)
Shape
undefined
Evaluation
validated
Method
fit intensity
Absorption coefficient
2.55 ± 0.5 cm-1
Strength
weak (w)
Evaluation
validated
Quality
D