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INFRARED SPECTROSCOPY
P.DEEPIKA
ASSISTANT PROFESSOR
Aditya bangalore institute of pharmacy education and resaerch
Dept. Of PHARMACEUTICAL ANALYSIS
PRINCIPLE
 Infrared spectroscopy is also called as “Vibrational
spectroscopy”.
 The molecules present in the sample solution absorbs IR
radiation particularly MID-IR radiation and undergoes
into different transitional states and leads to production
of vibrations.
 These vibrations occurs at different frequency region.
 Thereby the compound is detected.
Electromagnetic spectrum of IR can be divided into---
 NEAR IR --
 MID IR --
 FAR IR --
0.8µm-2.5µm
2.5µm-50µm
50µm-1000µm
*MID IR is the active region in which molecules tend to vibrate
USES OF IR SPECTROSCOPY
 Structural elucidation ( Det. Of functional group
present in a molecule)
 To find out which type of bond present in the
molecule i.e., single/double/triple bonds
 Or the group attached with these bonds can also be
known.
IMPORTANT EMS TERMS
 Wavelength
λ –lambda
 Frequency
ν- pnew
 Energy- E
 E=hν
ν Increases—E also increases
 Compounds which absorbs IR radiation
are...Organic compounds and Carbonmonoxide
 Compounds which doesnt absorbs IR radiation
are...
Hydrogen, Oxygen, Nitrogen
IR-SPECTRA
X-AXIS-
Wavenumbers (Frequency regions)
Lies in between 4000cm-1 to 400cm-1
Y-AXIS-
% Transmittance values
•If %T is 100%, it means NO
ABSORPTION has been taken place
in the molecule.
IO -------SAMPLE---------IT
Total transmittance (T)= IT / IO
%T=100* IT / IO
Where, IO is Intensity of incident light
and IT is Intensity of transmitted light
TYPES OF VIBRATIONS
Molecular vibration
divided
into
stretching bending
Involves
change in
bond length
involves
change in bond
angles
symmetrical asymmetrical
scissoring
rocking twisting
wagging
in-plane
vibration out of
plane
vibration8
INSTRUMENTATION (Dispersive IR)
1. IR SOURCE
2. SAMPLE COMPARTMENT
3. MONOCHROMATOR
4. DETECTOR
5. READOUT DEVICE
1 2 3 4
IR SOURCES
1. NERNST GLOWER:
 It is constructed with rare
earth oxides in the form of a
hollow cylinder.
 Platinum leads at the ends of
the cylinder permit the
passage of electricity.
 Nernst glowers are fragile.
2. GLOBAR SOURCE:
 A globar is a rod of silicon carbide
(5 mm diameter, 50mm long)
which is electrically heated to about
1,500 K.
3.CARBON DIOXIDE LASER:
 Very rarely used becz its highly
expensive
MONOCHROMATOR
 A monochromator is a means of
separating wavelengths of the
source radiation.
 The monochromator is used to
separate polychromatic radiation
into a suitable monochromatic
form.
 This is achieved by means of
prisms or diffraction grating.
 High resolution prism
instruments contain
combination of Si02,
NaCl and KBr prisms.
 Low-cost instruments
use NaCl prisms
DETECTORS
1. Thermocouple detector
2. Thermistor
3. Pyroelectric detector
4. Photoelectric detectors
*Used to detect the compound or the species
THERMAL DETECTORS
1.THERMOCOUPLE DETECTOR :
•Thermocouples consist of a pair of junctions of different metals two pieces of
bismuth fused to either end of a piece of antimony.
•The potential difference (voltage) between the junctions changes according to the
difference in temperature between the junctions
2.PYROELECTRIC DETECTOR:
 Pyroelectric detectors are made
from a single crystalline wafer of
a pyroelectric material, such as
triglycerine sulphate (TGS).
 The properties of a pyroelectric
material are such that when an
electric field is applied across it,
electric polarisation occurs.
3.BOLOMETER:
 A bolometer functions by
changing resistance when
heated.
 It is constructed of strips of
metals such as platinum or
nickel
4. PHOTOELECTRIC
DETECTORS:
 Madeup of mercury cadmium
telluride detector
SAMPLE PREPARATION TECHNIQUES
1. LIQUIDS
2. SOLIDS
 KBr pellet technique
 Mull technique
3. GASES
LIQUIDS:
 Pure or soluted in transparent solvent – not water (attacks
windows)
 The sample is most often in the form of liquid films
(“sandwiched” between two NaCl plates)
SOLIDS( KBr pellet technique):
 A milligram or less of the fine ground sample mixed with
about 100 mg of dry KBr powder in a mortar or ball mill.
 The mixture compressed in a die to form transparent disc.
SOLIDS(MULL TECHNIQUE):
 Grinding a few milligrams of the powdered sample with
a mortar or with pulverizing equipment.
 A few drops of the mineral oil added (grinding
continued to form a smooth paste).
 Nujol is used as mineral oil.(It is a heavy paraffin oil
so it is chemically inert.
 Composition of Nujol is heavy paraffin.
 And applied as a thin transparent film
THANK YOU

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Ir spectroscopy

  • 1. INFRARED SPECTROSCOPY P.DEEPIKA ASSISTANT PROFESSOR Aditya bangalore institute of pharmacy education and resaerch Dept. Of PHARMACEUTICAL ANALYSIS
  • 2. PRINCIPLE  Infrared spectroscopy is also called as “Vibrational spectroscopy”.  The molecules present in the sample solution absorbs IR radiation particularly MID-IR radiation and undergoes into different transitional states and leads to production of vibrations.  These vibrations occurs at different frequency region.  Thereby the compound is detected.
  • 3. Electromagnetic spectrum of IR can be divided into---  NEAR IR --  MID IR --  FAR IR -- 0.8µm-2.5µm 2.5µm-50µm 50µm-1000µm *MID IR is the active region in which molecules tend to vibrate
  • 4. USES OF IR SPECTROSCOPY  Structural elucidation ( Det. Of functional group present in a molecule)  To find out which type of bond present in the molecule i.e., single/double/triple bonds  Or the group attached with these bonds can also be known.
  • 5. IMPORTANT EMS TERMS  Wavelength λ –lambda  Frequency ν- pnew  Energy- E  E=hν ν Increases—E also increases
  • 6.  Compounds which absorbs IR radiation are...Organic compounds and Carbonmonoxide  Compounds which doesnt absorbs IR radiation are... Hydrogen, Oxygen, Nitrogen
  • 7. IR-SPECTRA X-AXIS- Wavenumbers (Frequency regions) Lies in between 4000cm-1 to 400cm-1 Y-AXIS- % Transmittance values •If %T is 100%, it means NO ABSORPTION has been taken place in the molecule. IO -------SAMPLE---------IT Total transmittance (T)= IT / IO %T=100* IT / IO Where, IO is Intensity of incident light and IT is Intensity of transmitted light
  • 8. TYPES OF VIBRATIONS Molecular vibration divided into stretching bending Involves change in bond length involves change in bond angles symmetrical asymmetrical scissoring rocking twisting wagging in-plane vibration out of plane vibration8
  • 9. INSTRUMENTATION (Dispersive IR) 1. IR SOURCE 2. SAMPLE COMPARTMENT 3. MONOCHROMATOR 4. DETECTOR 5. READOUT DEVICE 1 2 3 4
  • 10. IR SOURCES 1. NERNST GLOWER:  It is constructed with rare earth oxides in the form of a hollow cylinder.  Platinum leads at the ends of the cylinder permit the passage of electricity.  Nernst glowers are fragile.
  • 11. 2. GLOBAR SOURCE:  A globar is a rod of silicon carbide (5 mm diameter, 50mm long) which is electrically heated to about 1,500 K. 3.CARBON DIOXIDE LASER:  Very rarely used becz its highly expensive
  • 12. MONOCHROMATOR  A monochromator is a means of separating wavelengths of the source radiation.  The monochromator is used to separate polychromatic radiation into a suitable monochromatic form.  This is achieved by means of prisms or diffraction grating.
  • 13.  High resolution prism instruments contain combination of Si02, NaCl and KBr prisms.  Low-cost instruments use NaCl prisms
  • 14. DETECTORS 1. Thermocouple detector 2. Thermistor 3. Pyroelectric detector 4. Photoelectric detectors *Used to detect the compound or the species THERMAL DETECTORS
  • 15. 1.THERMOCOUPLE DETECTOR : •Thermocouples consist of a pair of junctions of different metals two pieces of bismuth fused to either end of a piece of antimony. •The potential difference (voltage) between the junctions changes according to the difference in temperature between the junctions
  • 16. 2.PYROELECTRIC DETECTOR:  Pyroelectric detectors are made from a single crystalline wafer of a pyroelectric material, such as triglycerine sulphate (TGS).  The properties of a pyroelectric material are such that when an electric field is applied across it, electric polarisation occurs.
  • 17. 3.BOLOMETER:  A bolometer functions by changing resistance when heated.  It is constructed of strips of metals such as platinum or nickel 4. PHOTOELECTRIC DETECTORS:  Madeup of mercury cadmium telluride detector
  • 18. SAMPLE PREPARATION TECHNIQUES 1. LIQUIDS 2. SOLIDS  KBr pellet technique  Mull technique 3. GASES
  • 19. LIQUIDS:  Pure or soluted in transparent solvent – not water (attacks windows)  The sample is most often in the form of liquid films (“sandwiched” between two NaCl plates) SOLIDS( KBr pellet technique):  A milligram or less of the fine ground sample mixed with about 100 mg of dry KBr powder in a mortar or ball mill.  The mixture compressed in a die to form transparent disc.
  • 20. SOLIDS(MULL TECHNIQUE):  Grinding a few milligrams of the powdered sample with a mortar or with pulverizing equipment.  A few drops of the mineral oil added (grinding continued to form a smooth paste).  Nujol is used as mineral oil.(It is a heavy paraffin oil so it is chemically inert.  Composition of Nujol is heavy paraffin.  And applied as a thin transparent film
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