Guide for Infrared Spectroscopy

Bruker Optics

Guide for Infrared Spectroscopy

Analytical Life Science Process

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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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