Band
Title
1058.0 cm-1: ν2 (TO) of NH3 and 3νLxy (F) ? of NH3 in natural NH3 - phase I
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν2 (TO) F deformation sym. NH3 NH3 NH3 no
Lxy (F) ? libration NH3 NH3 no
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)
1058 ± 2 - 9 ± 1 asymmetric low frequency wing vvs 20.0
1058 ± 2 - 12 ± 1 asymmetric low frequency wing 34200 ± 500 0.71 vvs vvs 90.0
Label
ν2 (TO)
Symmetry
F
Category
fundamental vibration

Evaluation

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

Vibration modes

Label (type)
ν2 (deformation sym.)       Bond: NH3
Comments
F (TO)
Label
Lxy (F) ?
Category
overtone rotation

Evaluation

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

Rotation modes

Label (type)
Lxy (libration)
Comments
F
Texture
film

Temperature

Temperature
20.0 ± 10.0 K
Method #1
spectrum measurement
Overlap
moderately blended
Peak
1058 ± 2 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
9 ± 1 cm-1 (fwhm)
Shape
asymmetric low frequency wing
Evaluation
undefined
Quality
C
Comments
with a broad shoulder around 1070 cm-1
Method
estimated
Strength
very very strong (vvs)
Evaluation
undefined
Texture
film

Temperature

Temperature
90.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
moderately blended
Peak
1058 ± 2 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
12 ± 1 cm-1 (fwhm)
Shape
asymmetric low frequency wing
Evaluation
undefined
Quality
C
Comments
with a broad shoulder around 1070 cm-1
Method
baseline corrected peak intensity
Absorption coefficient
34200 ± 500 cm-1
Relative intensity
0.71 ± 0.01
Strength
very very strong (vvs)
Evaluation
undefined
Quality
A
Method
estimated
Strength
very very strong (vvs)
Evaluation
undefined