This document provides an overview of infrared (IR) spectroscopy. It discusses the basic principles of IR spectroscopy, including that IR radiation induces molecular vibrations that can be measured to determine a molecule's structure. It describes the typical instrumentation used, including sources of IR radiation and detectors. It explains how different functional groups absorb IR radiation at characteristic frequencies. Examples are provided of the IR spectra of common organic functional groups like alkenes, alkynes, alcohols, and amines. Applications of IR spectroscopy in fields like pharmaceutical analysis and polymer characterization are mentioned. Advantages include speed and applicability to many sample types, while disadvantages include some sample destruction and inability to analyze non-IR-active compounds.

1. KUMARI NEHA
Ph.D. (RESEARCH SCHOLAR)
DEPARTMENT OF PHARMACEUTICAL
CHEMISTRY
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2.  Introduction
 Vibrational mode
 Principle
 Instrumentation
 IR Bands
 Interpretation
 Examples
 Uses and applications
 Advantages & Disadvantages
 References
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3.  Infrared (IR) spectroscopy or vibrational spectroscopy is an analytical
technique that takes advantage of the vibrational transitions of a
molecule.
 It is one of the most common and widely used spectroscopic
techniques employed mainly by inorganic and organic chemists due to
its usefulness in determining functional groups of compounds and
identifying them.
 It is a method of measurement of the extent, at a various wave
numbers, of absorption of infrared radiation when it passes through a
layer of substances.
 Intensity and frequency of samples absorption are depicted in a two-
dimensional plot called a spectrum. Intensity is generally reported in
terms of absorbance - the amount of light absorbed by a sample, or
percent transmittance – i.e. the amount of light, which passes
through it.
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4.  It induces stronger molecular vibrations in covalent bonds, which can
be viewed as springs holding together two masses, or atoms.
 Covalent bonds can vibrate in several modes, including stretching,
rocking, and scissoring.
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5.  When the energy in the form of IR is applied and if the applied IR
frequency = Natural frequency of vibrations, the absorption of IR take
place and a peak is observed.
 Molecules are excited to the higher energy state from the ground
state when they absorb IR radiation.
 When a compound is exposed to IR radiation, it selectively absorbs
the radiation resulting in vibrations of the molecules of the
compound, giving rise to closely packed absorption bands, known as
IR absorption spectrum.
 The band correspond to the characteristic functional groups and the
bonds present in a chemical substance. Thus, an IR spectrum of the
compound is considered as the fingerprint for its chemical
identification.
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6.  The method or technique of infrared spectroscopy is conducted with
an instrument called an infrared spectrometer (or spectrophotometer)
to produce an infrared spectrum.
 Infrared (IR) spectrometers measure the interaction of IR radiation
with samples. The FTIR spectrometer measures the frequencies at
which the samples absorb the radiation, and the intensities of the
absorptions.
 The main parts of IR spectrometer are as follows:
1.Radiation source
2.Sample cells and sampling of substances
3.Monochromators
4.Detectors
5.Recorder
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7. Fourier-Transform Infrared
Spectrometer 7

8.  IR bands can be classified as strong (s), medium (m), or weak
(w), depending on their relative intensities in the infrared
spectrum. A strong band covers most of the y-axis. A medium
band falls to about half of the y-axis, and a weak band falls to
about one third or less of the y-axis.
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9.  The typical IR absorption range for polar covalent bonds is
600 - 4000 cm-1. The graph shows the regions of the spectrum
where the following types of bonds normally absorb. For
example a sharp band around 2200-2400 cm-1 would indicate
the possible presence of a C-N or a C-C triple bond.
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11.  Although the entire IR spectrum can be used as a fingerprint for the
purposes of comparing molecules, the 600 - 1400 cm-1 range is called
the fingerprint region. This is normally a complex area showing many
bands, frequently overlapping each other. This complexity limits its
use to that of a fingerprint, and should be ignored by beginners when
analyzing the spectrum. As a student, you should focus your analysis
on the rest of the spectrum, that is the region to the left of 1400 cm-1.
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12.  Alkanes have no functional groups. Their IR spectrum displays only
C-C and C-H bond vibrations. Of these the most useful are the C-H
bands, which appear around 3000 cm-1.
 Alkenes also show sharp, medium bands corresponding to the C=C
bond stretching vibration at about 1600-1700 cm-1. Some alkenes
might also show a band for the =C-H bond stretch, appearing around
3080 cm-1 as shown below.
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13.  Alkynes displays as a sharp, weak band at about 2100 cm-1. The
reason it’s weak is because the triple bond is not very polar. Terminal
alkynes, that is to say those where the triple bond is at the end of a
carbon chain, have C-H bonds involving the sp carbon (the carbon that
forms part of the triple bond). Therefore they may also show a sharp,
weak band at about 3300 cm-1 corresponding to the C-H stretch.
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14.  In a manner very similar to alkynes, nitriles show a prominent band
around 2250 cm-1 caused by the CN triple bond. This band has a
sharp, pointed shape just like the alkyne C-C triple bond, but because
the CN triple bond is more polar, this band is stronger than in
alkynes.
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15.  The most prominent band in alcohols is due to the O-H bond,
and it appears as a strong, broad band covering the range of
about 3000 - 3700 cm-1. The sheer size and broad shape of the
band dominate the IR spectrum and make it hard to miss.
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16.  Carbonyl compounds are those that contain the C=O functional
group. In aldehydes, this group is at the end of a carbon chain,
whereas in ketones it’s in the middle of the chain. Aldehydes and
ketones show a strong, prominent, stake-shaped band around 1710 -
1720 cm-1 (due to the highly polar C=O bond).
 Aldehydes also contain a C-H bond to the sp2 carbon of the C=O
bond, they also show a pair of medium strength bands positioned
about 2700 and 2800 cm-1. These bands are missing in the spectrum
of a ketone because the sp2 carbon of the ketone lacks the C-H bond.
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17.  A carboxylic acid functional group combines the features of
alcohols and ketones because it has both the O-H bond and the
C=O bond. Therefore carboxylic acids show a very strong and
broad band covering a wide range between 2800 and 3500 cm-
1 for the O-H stretch. At the same time they also show the
stake-shaped band in the middle of the spectrum around 1710
cm-1 corresponding to the C=O stretch.
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18.  The most characteristic band in amines is due to the N-H bond
stretch, and it appears as a weak to medium, somewhat broad band
(but not as broad as the O-H band of alcohols). This band is
positioned at the left end of the spectrum, in the range of about 3200 -
3600 cm-1.
 Primary amines have two N-H bonds, therefore they typically show
two spikes that make this band resemble a molar tooth. Secondary
amines have only one N-H bond, which makes them show only one
spike, resembling a canine tooth. Finally, tertiary amines have no N-
H bonds, and therefore this band is absent from the IR spectrum
altogether.
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19.  The amide functional group combines the features of amines and
ketones because it has both the N-H bond and the C=O bond.
Therefore amides show a very strong, somewhat broad band at the
left end of the spectrum, in the range between 3100 and 3500 cm-1 for
the N-H stretch. At the same time they also show the stake-shaped
band in the middle of the spectrum around 1710 cm-1 for the C=O
stretch. As with amines, primary amides show two spikes, whereas
secondary amides show only one spike.
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23. Dibutyl ether
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29.  Chemical Analysis: Testing Pill Quality (Near-infrared spectroscopy
(NIR) to make a prediction regarding quick dissolution of pills inside
the body.
 Protein characterization
 Nanoscale semiconductor analysis
 Space exploration.
 Analysis of gaseous, liquid or solid samples
 Identification of compounds.(Discovery of new chemical compounds )
 Information regarding functional groups of molecules and
constitution of molecules can be deduced from IR spectrum
 It is also used in forensic analysis in both criminal and civil cases, for
example in identifying polymer degradation. 29

30.  Advantages
 It's cheap and fast compared to things like NMR.
 It also works for a wide variety of samples and can detect things
very strongly, whereas similar techniques like Raman spectroscopy
are weaker.
 Disadvantages
 Sample preparation is time consuming and that it can't give
information as detailed as other techniques such as NMR.
 It's also a destructive analysis method and therefore precious or
scarce sample should be analyzed by a non-destructive method
such as Raman.
 It's also qualitative rather than quantitative and there are a lot of
compounds which are not IR active and therefore can't be detected.
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31.  IR identifies the components of a sample (liquid, solid or gas).
Infrared (IR) spectrometers measure the interaction of IR radiation
with samples. The FTIR spectrometer measures the frequencies at
which the samples absorb the radiation, and the intensities of the
absorptions. Intensity and frequency of samples absorption are
depicted in a two-dimensional plot called a spectrum.
 Intensity is generally reported in terms of absorbance - the amount of
light absorbed by a sample, or percent transmittance – i.e. the
amount of light, which passes through it. What makes up an
unknown sample, and how much of each component is present in that
sample, can be valuable information supplied by this technique. Its
many applications include research and development of new
products.
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32.  https://commons.wikimedia.org/wiki/File:IR-spectroscopy-
sample.svg
 https://ruby-sapphire.com/index.php/about/10-articles/810-ftir-
intrigue
 https://www.dummies.com/education/science/chemistry/how-to-
identify-carbonyls-alkenes-alkynes-and-aromatics-in-the-ir-
spectrum/
 https://orgspectroscopyint.blogspot.com/2014/12/infrared-
spectroscopy.html
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33. THANK YOU
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