Band
Title
6073.0 cm-1: 2ν1 in-phase of 1H2 16O and ν1+2ν2 of 1H2 16O in natural H2O - phase Ih
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
1 in-phase stretching sym. H2 16O H2O -16O-1H no no unknown
ν1+2ν2 combination vibration H2 16O H2O -16O-1H
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)
6021 ± 1 6037 ± 1 87 symmetric 30 ± 1.5 m 10.0
6048 ± 1 6059 ± 1 99 symmetric 15.3 ± 1 w 100.0
6073 ± 1 6071 ± 1 106 broad shoulder 8.1 ± 0.5 3.3e-04 w 140.0
6117 ± 1 130 undefined 0.1 ± 0.1 ew 270.0
Label
1 in-phase
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)
1 (stretching sym.)       Bond: -16O-1H
Comments
in-phase
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
in-phase

Temperature

Temperature
10.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
moderately blended
Peak
6021 ± 1 cm-1 (peak)
Center
6037 ± 1 cm-1 (fit center)
Evaluation
validated
Quality
B
FWHM
87 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Method
fit intensity
Absorption coefficient
30 ± 1.5 cm-1
Strength
medium (m)
Evaluation
validated
Quality
C

Temperature

Temperature
100.0 ± 10.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
strongly blended
Peak
6048 ± 1 cm-1 (peak)
Center
6059 ± 1 cm-1 (fit center)
Evaluation
validated
Quality
B
FWHM
99 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Method
fit intensity
Absorption coefficient
15.3 ± 1 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
Peak
6073 ± 1 cm-1 (peak)
Center
6071 ± 1 cm-1 (fit center)
Evaluation
validated
Quality
B
FWHM
106 cm-1 (fit fwhm)
Shape
broad shoulder
Evaluation
validated
Method
fit intensity
Absorption coefficient
8.1 ± 0.5 cm-1
Relative intensity
3.3e-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
6117 ± 1 cm-1 (fit center)
Evaluation
validated
Quality
B
FWHM
130 cm-1 (fit fwhm)
Shape
undefined
Evaluation
validated
Method
fit intensity
Absorption coefficient
0.1 ± 0.1 cm-1
Strength
extremely weak (ew)
Evaluation
validated
Quality
E