Band
Title
3145.0 cm-1: ν1 in-phase of 1H2 16O and 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
ν1 in-phase stretching sym. H2 16O H2O -16O-1H no no major
2 bending H2 16O H2O H2 16O no no minor
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)
3122 ± 8 - - undefined vs 10.0
3143 ± 6 - - sharp shoulder vs 100.0
3145 ± 2 - - broad shoulder 18000 ± 1000 0.735 vs 140.0
Label
ν1 in-phase
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
major

Vibration modes

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

Evaluation

Level
uncertain assignment
Evaluation
uncertain
# Multiplicity type Degeneracy Other band
1 no no
Contribution level
minor

Vibration modes

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

Temperature

Temperature
10.0 ± 10.0 K
Method #1
spectrum measurement
Overlap
strongly blended
Peak
3122 ± 8 cm-1 (peak)
Evaluation
undefined
Quality
D
Shape
undefined
Evaluation
undefined
Method
extrapolated
Strength
very strong (vs)
Evaluation
undefined

Temperature

Temperature
100.0 ± 10.0 K
Method #1
spectrum measurement
Overlap
strongly blended
Peak
3143 ± 6 cm-1 (peak)
Evaluation
undefined
Quality
D
Shape
sharp shoulder
Evaluation
undefined
Method
extrapolated
Strength
very strong (vs)
Evaluation
undefined

Temperature

Temperature
140.0 ± 10.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
3145 ± 2 cm-1 (peak)
Evaluation
undefined
Quality
B
Shape
broad shoulder
Evaluation
undefined
Method
peak intensity
Absorption coefficient
18000 ± 1000 cm-1
Relative intensity
0.735 ± 0.04
Strength
very strong (vs)
Evaluation
undefined
Quality
C