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Spectroscopy
Dr.V.S.G & Dr.K.Y
Selection Rules
Polar Molecules (Water) and molecules
whose polarity changes (Carbon Di Oxide)
are IR active
V = 1
Number of Vibrations
The number of fundamental vibration can be
calculated as followed:
Linear poly atomic exhibits 3N5 vibrations
Non linear molecules can exhibit 3N6 vibrations
N is the number of atoms in a molecule
Asymmetric
In plane
Rocking
Scissoring
Out of plane
Wagging
Twisting
Wagging
Asymmetrical Stretching
IR Spectrum Of CO2
IR Instrumentation
and
Applications
IR - Instrumentation
There are Three basic components in an Infra
red Spectrophotometre
A stable Source of radiant energy
A monochromator for isolating a desired
narrow region of IR radiation ( single wave
length)
A detector for measuring the transmitted
radiation.
Dr.V.S.G & Dr.K.Y
Source Lamp
Wavelength
Selector
(Monochromator)
Sample
Detector
Signal Processor
and Readout
Sources
Inert solid , electrically heated to 15001500-2200K
Commonly used sources Electrically heated
Nernst Glower (Rare
(Rare earth oxides )
Globar Source (Silicon
(Silicon carbide rod)
Dr.V.S.G & Dr.K.Y
Special sources
Tungsten Filament Lamp
Used in nearnear-IR region of 4,0004,000-12,800 cm-1
Mercury Arc
- Used in Far IR region
CO2 Laser (tunable)
- Used to monitor atmospheric conditions
Dr.V.S.G & Dr.K.Y
Monochromator
Glass and Quartz absorb very strongly
beyond 4 micro metre.
Hence cannot be used as monochromator
or cell material in IR region
Alkali halides (NaCl / KBr / NaBr) do
not absorb in IR region.
Hence prisms made up of these materials
are used as monochromators
Dr.V.S.G & Dr.K.Y
Cells
The most commonly used cells are made
from NaCl , as it is transparent to IR and
inert towards the analyte
NaCl is highly hygroscopic and after every
use cell has to be washed with CHCl3 and
dried with a stream of dry nitrogen.
Should always be kept in a dessicator
Infrared Detectors
Thermocouples (Thermocouples are a
widely used type of temperature sensor and
can also be used to convert heat into electric
power)
Bolometres (A very sensitive device for
detecting and measuring small amounts of
thermal radiation and radiant energy
It is used specifically to IR in presence of MW )
A highly sensitive device called thermopile is
used in modern instruments
(themopile is an array of thermocouples)
Dr.V.S.G & Dr.K.Y
Applications of IR Spectroscopy
It is the only method known for
detecting toxic chemicals and
explosives enclosed in a sealed
container made of plastic, paper
and materials other than metals ie
non conducting containers.
Dr.V.S.G & Dr.K.Y
Qualitative Tool
Each functional group shows typical
absorption pattern. Hence this is very helpful
in establishing the structure of an organic
compound.
For ex. Ketone carbonyl shows strong
absorption at 1720 -1740 cm-1 irrespective of
whether it is aliphatic or aromatic ketone.
Useful Data
Molecular symmetry
Dipole moments
Bond length etc.,
Quantitative Tool
IR Spectrum of Cocaine
Other Applications
Atmospheric monitoring
Pollutants like CO
-1
(2170 cm ) and HC
-1
(3000 2800cm ) in air
samples can be
determined.
Dr.V.S.G & Dr.K.Y