Band
Title
4520.0 cm-1: ν12 of 1H2 16O and 3ν2 of 1H2 16O in natural H2O - phase Ih
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν12 combination vibration H2 16O H2O -16O-1H
H2 16O
no no unknown
2 bending H2 16O H2O H2 16O 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)
4520 ± 20 - 150 ± 100 1 ± 0.5 vw 100.0
4530 ± 20 - 150 ± 100 1 ± 0.5 vw 270.0
Label
ν12
Category
combination vibration

Evaluation

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

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: -16O-1H
ν2 (bending)       Bond: H2 16O
Comments
in-phase
Label
2
Category
overtone vibration

Evaluation

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

Vibration modes

Label (type)
2 (bending)       Bond: H2 16O

Temperature

Temperature
100.0 ± 10.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
4520 ± 20 cm-1 (peak)
Evaluation
undefined
Quality
E
Comments
error estimated
FWHM
150 ± 100 cm-1 (estimated)
Evaluation
uncertain
Quality
E
Comments
From Fig. 5 Okman 1958
Method
estimated
Absorption coefficient
1 ± 0.5 cm-1
Strength
very weak (vw)
Evaluation
uncertain
Quality
E
Comments
From Fig. 5 Okman 1958

Temperature

Temperature
270.0 ± 10.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
4530 ± 20 cm-1 (peak)
Evaluation
undefined
Quality
E
Comments
error estimated
FWHM
150 ± 100 cm-1 (estimated)
Evaluation
uncertain
Quality
E
Comments
From Fig. 5 Okman 1958
Method
estimated
Absorption coefficient
1 ± 0.5 cm-1
Strength
very weak (vw)
Evaluation
uncertain
Quality
E
Comments
From Fig. 5 Okman 1958
Publication
Comments
Ockman thesis 1957