Guide for Infrared Spectroscopy
Bruker Optics
Guide for Infrared Spectroscopy
Analytical Life Science Process
think forward
Spectroscopy
Index
IR-Spectroscopy & Physical Tables
IR-Window Material
2
Infrared Tables
3
Near Infrared Table
5
Sources
6
Detectors
7
Beamsplitters
8
Conversion Table of Energy and Wavelength Units
for Far and Mid Infrared
9
Conversion Table of Energy and Wavelength Units
for Near Infrared, Visible and UV
10
Conversion Table of Transmittance and Absorbance Units
11
SI Unit System (Syst?me International)
12
Selected Force Constants and Bond Orders
of Organic and Inorganic Compounds
13
Conversion Factors for Important Physical Units
15
Raman Laser Sources and Stokes Shifts
16
Conversion Tables for Length, Volume, Temperature, Pressure
17
1
IR-Window Material
Material
Infrasil SiO2 UV Sapphire AL2O3 Silicon Si Calcium Fluoride CaF2 Barium Fluoride BaF2 Zinc Sulfide, Cleartran ZnS Germanium Ge
Transmission Range [cm-1] ([micrometer])
57,0 0 0 -2,8 0 0 ( 0.175 - 3.6 )
66,000-2,000 ( 0.15 - 5.0 )
10,0 0 0 -10 0 (1.0 -10 0 )
6 6,0 0 0 -1,20 0 ( 0.15 - 8.0 )
50,000-900 ( 0. 2-11)
22,0 0 0 -75 0 ( 0.4 5 -13.0 )
Refractive Index n at 2000 cm-1
1.46
Reflectance loss per surface
~3.3 %
1.75
~7.3 %
3.42
~30 %
1.40
~2.8 %
1.45
~3.3 %
2.25
~15 %
5,000-600 ( 2.0 -17)
4.01
~36 %
Hardness (Knoop)
461 1370 1150 158
82 355
550
Sodium Chloride NaCl
AMTIR GeAsSe Glass
Zinc Selenide ZnSe
Silver Chloride AgCl
Potassium Bromide KBr
Cesium Iodide Csl
KRS-5 TIBr/I
Polyethylene PE (high density)
Diamond C
TPX TM Methylpentene Resin
28,0 0 0 -70 0 ( 0. 35 -15 )
11,0 0 0 - 9 0 0 ( 0.9 -11)
20,000-500 (0.5-20)
23,000-400 (0.42-25)
33,000-400 (0.3-25)
3 3,0 0 0 -15 0 ( 0. 3 -70 )
16,0 0 0 -20 0 (0.6-60)
6 0 0 -10 (16 -1,0 0 0 )
4 5,0 0 0 -10 ( 0. 22-1,0 0 0 )
35 0 -10 ( 28 -1,0 0 0 )
1.52 2.50 2.43 2.00 1.54
1.74 2.38 1.52 2.40 1,43
~4.5 % ~18 % ~17 % ~11 % ~4.5 %
~7.3 % ~17 % ~4.5 % ~17 % ~3.3 %
15 170 150
10 7
20 40
5 7000
Chemical Properties
Insoluble in water; soluble in HF.
Very slightly soluble in acids and bases. Insoluble in most acids and bases; soluble in HF and HNO3. Insoluble in water; resists most acids and bases; soluble in NH4 salts. Low water solubility; soluble in acid and NH4Cl. Soluble in acid; insoluble in water
Insoluble in water; soluble in hot H2SO4 and aqua regia. Hygroscopic; sligthly soluble in alcohol and NH3. Insoluble in water. Soluble in bases.
Soluble in strong acids; dissolves in HNO3. Insoluble in water; soluble in NH4OH.
Soluble in water, alcohol, and glycerine; hygroscopic.
Soluble in water and alcohol, hygroscopic. Soluble in warm water; soluble in bases; insoluble in acids. Resistant to most solvents.
Insoluble in water, acids, and bases.
Similar to PE but transparent and more rigid
2
Infrared Tables
3600
3400
3200
CCH
OH H
X3000
2800
CH3 CH2
H H CH2
CH
CHO OCH3
O CH2
N CH3
H CC
H H
CC
O H Acids
O H Acids
NH2
NH
CONH2 In solution
CONH In solution
Ar H O H Acids
CONH2 In solution CONH2 In solid state
C O NH
In solid state
NH
+ 3
O
2600
2400
CO2
2200
C CH
CC
CN
N
+ 2
SCN
2000
wavenumber [cm-1]
NCO
N3
NCN CCO
NCS C N+ N-
CCC
CCN
NH
+ 2
NH+ N+H
SH
OH PO
PH
3
Infrared Tables
1800
1700
1600
1500
Anhydrides Acid chlorides
Peracids CO O C C 5-Ring lactones
Lactames
NH2
NH
NH
+ 3
CN CN
CC
Conj. cycl. C N
NH
+ 3
4-Ring lactones
Imides Urethanes
NN O- N+ N
5-Ring ketones
CC
4-Ring ketones
C C Aryl conj.
Alkanes
Saturated esters CC N
Dienes, Trienes etc. C OO
CC
CC O
Saturated aldehydes Saturated ketones
R CO S R
Benzenes, Pyridines etc. C NO2
O NO2 N NO2
CNO
ONO Aryl- and , -unsaturated esters
NNO
-Halogen esters and -ketoesters
CS NH
, -Unsaturated 5-ring lactones
, -Unsaturated 5-ring lactones Aldehydes, ketones or esters with intramolecular H-bonds
Aryl- and unsaturated aldehydes
Aryl- and , -unsaturated ketones
, -, ', '-Unsaturated ketones, quinones
-Halogen- and , '-dihalogen ketones
1, 2-Diketone
Saturated carboxylic acids
Aryl- and , -unsaturated carboxylic acids
-Halogen carboxylic acids
Carboxylat ions
Primary amides in solution
Primary amides in solid state
N-monosubst. amides in solution
N-monosubst. amides in solid state N, N-disubst. amides
1400
1300
Alkanes OCOCH3 COCH3
C(CH3 3 C( CH 3 2(Double band)
( (
OH
1200
1100
CO
C NO2
O NO2 N NO 2
+-
NO
CS
1000
900
800
700 wavenumber
[cm-1]
Alkanes
CH CH Trans
C C H Alkenes
5 neighbouring aromatic C H 4 neighbouring aromatic C H 3 neighbouring aromatic C H 2 neighbouring aromatic C H 1 isolated aromatic C H
N+
O
SO2 N SO2 O
SO
SO2 N SO2 O
SO2
O P
Alkyl
O P
OH
O P
Alkyl
O P
CF
P O Aryl
C Cl
4
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