Band
Title
2383.0 cm-1: ν711 of 12CH316OH in CH3OH - phase alpha
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν711 combination vibration 12CH316OH CH3OH -12C ≤ H3
-12C ≤ H3
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)
2383 ± 1 - 15 ± 2 symmetric 0.0025 ± 2.0e-04 0.0029 m 0.037 ± 0.008 0.00075 w 35.0
2394 ± 1.5 - 15 ± 2 symmetric 0.0018 ± 2.0e-04 0.0023 m 0.027 ± 0.007 0.00055 w 120.0
Label
ν711
Category
combination vibration

Evaluation

Level
uncertain assignment
Evaluation
undefined
# Multiplicity type Degeneracy Other band
1 no

Vibration modes

Label (type)
ν7 (bending asym. in-p (rocking))       Bond: -12C ≤ H3
ν11 (bending asym. in-p (rocking))       Bond: -12C ≤ H3

Temperature

Temperature
35.0 ± 5.0 K
Temperature max
145.0 K
Method #1
spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
Overlap
isolated
Peak
2383 ± 1 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
15 ± 2 cm-1 (hwhm)
Shape
symmetric
Evaluation
validated
Quality
D
Method
peak intensity
Absorption coefficient
0.0025 ± 2.0e-04 cm-1
Relative intensity
0.0029 ± 2.0e-04
Strength
medium (m)
Evaluation
undefined
Quality
C
Method
width x peak intensity
Absorption coefficient
0.037 ± 0.008 cm-2
Relative intensity
0.00075 ± 0.00015
Strength
weak (w)
Evaluation
undefined
Quality
D

Temperature

Temperature
120.0 ± 10.0 K
Temperature max
120.0 K
Method #1
spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
Overlap
isolated
Peak
2394 ± 1.5 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
15 ± 2 cm-1 (fwhm)
Shape
symmetric
Evaluation
validated
Quality
D
Method
peak intensity
Absorption coefficient
0.0018 ± 2.0e-04 cm-1
Relative intensity
0.0023 ± 3.0e-04
Strength
medium (m)
Evaluation
undefined
Quality
D
Method
width x peak intensity
Absorption coefficient
0.027 ± 0.007 cm-2
Relative intensity
0.00055 ± 0.00015
Strength
weak (w)
Evaluation
undefined
Quality
E