Band
Title
1594.0 cm-1: ν4 of NH3 and ν2Lxy (LO) of NH3 in NH3 - phase I
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν4 F deformation asym. NH3 NH3 NH3 mode degeneracy triple
ν2Lxy (LO) F combination vibration NH3 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)
1594 ± 2 - - sharp shoulder 620 ± 50 0.013 s s 90.0
Label
ν4
Symmetry
F
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 mode degeneracy triple

Vibration modes

Label (type)
ν4 (deformation asym.)       Bond: NH3
Comments
F
Label
ν2Lxy (LO)
Symmetry
F
Category
combination vibration

Evaluation

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

Vibration modes

Label (type)
ν2 (deformation sym.)       Bond: NH3
Comments
F

Rotation modes

Label (type)
νLxy (TO) (libration)
Comments
F
Texture
film

Temperature

Temperature
90.0 ± 15.0 K
Comments
condensed or annealed above 80K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
1594 ± 2 cm-1 (peak)
Evaluation
validated
Quality
B
Shape
sharp shoulder
Evaluation
undefined
Quality
undefined
Comments
with a broad shoulder around 1616 cm-1
Method
baseline corrected peak intensity
Absorption coefficient
620 ± 50 cm-1
Relative intensity
0.013 ± 0.001
Strength
strong (s)
Evaluation
undefined
Quality
C
Method
estimated
Strength
strong (s)
Evaluation
undefined
Quality
undefined