Band
Title
6371.0 cm-1: 2ν3 (TO) of 1H2 16O and ν1+2ν2 of 1H2 16O and 2ν23 of 1H2 16O and ν11 of 1H2 16O and ν13 of 1H2 16O in natural H2O - phase Ih
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
3 (TO) stretching asym. H2 16O H2O -16O-1H no no unknown
ν1+2ν2 combination vibration H2 16O H2O -16O-1H
H2 16O
no no unknown
23 combination vibration H2 16O H2O H2 16O
-16O-1H
no no unknown
ν11 combination vibration H2 16O H2O -16O-1H
-16O-1H
no no unknown
ν13 combination vibration H2 16O H2O -16O-1H
-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)
6371 ± 20 115 broad shoulder 13 ± 1 w 10.0
Label
3 (TO)
Category
overtone vibration

Evaluation

Level
partly assigned
Evaluation
undefined
Comments
Ockman 1957
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
unknown

Vibration modes

Label (type)
3 (stretching asym.)       Bond: -16O-1H
Comments
TO
Label
ν1+2ν2
Category
combination vibration

Evaluation

Level
uncertain assignment
Evaluation
uncertain
Comments
Ockman 1957
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
unknown
Contribution comments
minor contribution ?

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: -16O-1H
2 (bending)       Bond: H2 16O
Comments
out-of-phase
Label
23
Category
combination vibration

Evaluation

Level
uncertain assignment
Evaluation
uncertain
Comments
Ockman 1957
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
unknown
Contribution comments
minor contribution ?

Vibration modes

Label (type)
2 (bending)       Bond: H2 16O
ν3 (stretching asym.)       Bond: -16O-1H
Label
ν11
Category
combination vibration

Evaluation

Level
uncertain assignment
Evaluation
uncertain
Comments
Ockman 1957
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
unknown
Contribution comments
minor contribution ?

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: -16O-1H
ν1 (stretching sym.)       Bond: -16O-1H
Comments
in-phase
Label
ν13
Category
combination vibration

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)
ν1 (stretching sym.)       Bond: -16O-1H
ν3 (stretching asym.)       Bond: -16O-1H
Comments
in-phase

Temperature

Temperature
10.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
shoulder-tail
Center
6371 ± 20 cm-1 (fit center)
Evaluation
validated
Quality
E
FWHM
115 cm-1 (fit fwhm)
Shape
broad shoulder
Evaluation
validated
Method
fit intensity
Absorption coefficient
13 ± 1 cm-1
Strength
weak (w)
Evaluation
validated
Quality
C