TECHNO MAIN SALT LAKE

Stream : ECE – A
Class : B-Tech(1 st year )
Subject :CHEMISTRY
Name : Rishiraj Debnath
Subject code : BS-CH-101
Roll no :2413003056

Name : Pabitra Nath

Roll no :2413003059

Name : Sayan Karmakar

Roll no :2413003057

Name : Shubhajit Pal

Roll no :2413003060

Name : Agniswar Mondal

Roll no :2413003037
 INTRODUCTION
IR SPECTROSCOPY:-
Infrared (IR) Spectroscopy is a
technique used to analyze
molecules by observing how they
absorb infrared light, causing unique
vibrations in chemical bonds. Each
molecule has a distinct IR spectrum,
allowing scientists to identify and
study various compounds. Widely
used in fields like chemistry,
pharmaceuticals, and forensics, IR
spectroscopy is essential for
understanding molecular structures
and compositions.
 PRINCIPLES

Molecules absorb infrared

IR spectroscopy relies on Each molecule produces a
radiation at specific
energy transitions within the unique IR spectrum due to its
wavelengths that
infrared region of the distinct arrangement of
correspond to the vibrational
electromagnetic spectrum, atoms and bonds. This
frequencies of their spectrum serves as a
specifically targeting
chemical bonds. When IR “molecular fingerprint,”
vibrational energy levels
light hits a molecule, it can allowing scientists to identify
rather than electronic ones.
cause the bonds to vibrate specific compounds and
This makes IR particularly
in unique ways (stretching, study their structures based
useful for studying bond
bending, etc.), which leads
types and functional groups on absorption patterns.
to absorption at
within molecules.
characteristic wavelengths.
 MOLECULAR VIBRATION
•MOLECULAR VIBRATION REFERS TO THE PERIODIC MOVEMENT OF ATOMS WITHIN A
MOLECULE RELATIVE TO ONE ANOTHER. IN IR SPECTROSCOPY, THESE VIBRATIONS ARE
CRUCIAL BECAUSE THEY INTERACT WITH INFRARED RADIATION. WHEN A MOLECULE
ABSORBS IR RADIATION, THE ENERGY CAUSES SPECIFIC BONDS TO VIBRATE, EITHER BY
STRETCHING OR BENDING, DEPENDING ON THE ENERGY OF THE RADIATION AND THE
NATURE OF THE BOND.

• TYPES OF MOLECULAR VIBRATIONS

Stretching Vibrations: Bending Vibrations:

•In-plane bending:
•Symmetric Stretching: Atoms
1)Scissoring: Atoms move towards and away
move in
from each other.
and out simultaneously along the
2)Rocking: Atoms swing back and forth in the
bond axis.
same plane.
• Asymmetric Stretching: •Out-of-plane bending:
Atoms move in opposite 1)Wagging: Atoms move like a wave out of the
directions along the bond axis. bond plane. 2)Twisting: Atoms rotate around the
bond axis.
 MOLECULAR FRAMEWORKS
In IR (Infrared) Spectroscopy, molecular frameworks refer to the structural
arrangements of atoms and functional groups that influence how molecules absorb
infrared light. These frameworks determine the vibrational modes of molecules, which
appear as characteristic absorption peaks in the IR spectrum.

Vibrational Modes: Functional Groups:

Atoms in a molecular Functional groups within Backbone
framework vibrate molecular  Linear Chains: Show
Frameworks:
(stretching, bending, frameworks produce characteristic
twisting) at specific characteristic absorption C–H and C–C bond vibrations.
frequencies based on their bands.  Cyclic Frameworks: Exhibit
bonds and masses. Examples: unique
O–H stretch: Broad peak around ring vibrations, such as ring
3200– 3600 cm⁻¹ (e.g., alcohols, breathing modes in aromatics
Common modes: carboxylic acids).
Stretching: Symmetric (e.g., benzene around 1500–
C=O stretch: Strong peak 1600 cm⁻¹).
and asymmetric. around 1700 cm⁻¹ (e.g.,  Conjugated Systems: π-bond
Bending: Scissoring, ketones, aldehydes).
rocking, wagging, and interactions affect bond
C–H stretch: Peaks around 2800–
twisting 3100 cm⁻¹ (e.g., alkanes, alkenes, strengths
aromatics). and IR absorption
frequencies.
 Solid
SAMPLE
Liquid
PREPARATION
Gaseous
Samples Samples Samples
Grinding: Finely grind the
solid sample using an agate Clean Salt Plates: Use IR- Use Gas Cell: Introduce the
mortar and pestle to ensure transparent plates (e.g., gas sample into a
uniform particle size. NaCl or KBr) and clean specialized gas cell with IR-
them thoroughly to transparent windows (e.g.,
Mixing with KBr: Mix a small remove residues. Sample
amount of the ground sample CaF₂ or ZnSe).
Placement: Place a drop of Seal the Cell: Ensure the cell
(1–2% by weight) with dry, IR- the liquid sample on one
grade potassium bromide is airtight to prevent
plate and sandwich it with contamination or loss of the
(KBr) powder.
another to form a thin, gas.
• Pellet Formation:
uniform film. Adjust Path Length: Select
Compress the mixture into Avoid Solvents: Ensure the
a transparent pellet using a a suitable path length to
liquid does not contain optimize
hydraulic press. water or volatile solvents
• Alternative (ATR): For ATR absorption signal based
that might damage the on the gas
spectroscopy, place the plates or interfere with IR
solid sample concentration.
absorption.
directly on the ATR crystal
without further preparation.
Instrumentations:
infrared (IR) spectroscopy relies on several
key instruments to analyze the absorption
Instrumentations
of infrared radiation by molecules. The
central component is the IR spectrometer,
which generates and processes infrared
light. It includes a light source, such as a
globar (a silicon carbide rod) for mid-IR or
a tungsten filament for near-IR, to emit the
necessary radiation. A monochromator or
interferometer (in FTIR spectrometers)
disperses the radiation into distinct
wavelengths. The sample, prepared as a
solid (e.g., using KBr pellets), liquid (placed
between NaCl plates), or gas (in gas cells),
interacts with the IR light. A detector, like a
DTGS (deuterated triglycine sulfate) or MCT
(mercury cadmium telluride) detector,
captures the transmitted or reflected light
and converts it into an electrical signal.
Advanced spectrometers are equipped with
computer systems for data acquisition and
analysis, producing detailed spectra for
molecular identification. Accessories like
attenuated total reflectance (ATR) modules
enhance versatility, enabling direct
analysis of solids and liquids without
 IR SPECTRUM
The IR (Infrared) spectrum
is a graphical
representation of a
molecule's absorption of
infrared radiation across a
range of wavelengths or
wavenumbers. It provides
insight into the vibrational
modes of a molecule,
allowing for the
identification of functional
groups and molecular
structures. X axis denotes
wavenumber and Y axis
denotes the intensity of
absorbtion.
 APPLICATI
Identification of Functional Groups
ONS
•Detect specific functional groups (e.g., O-H,
C=O, N-H)
•Essential for molecular identification.
Structural Elucidation
. •PHARMACEUTICAL
•Helps APPLICATIONS
determine the structure of unknown
•CONFIRMS IDENTITY OF RAW
compounds.
MATERIALS
•Provide AND
insights into DRUG
molecular frameworks and
FORMULATIONS.
bonding.
Quality Control and Purity Testing
•ENSURE
•Ensures chemicalCONSISTENCY
purity and detectsAND
impurities.
•Used STABILITY IN PHARMACEUTICAL
in pharmaceuticals and other industries.
PRODUCTS.
Chemical Reaction Monitoring
• reaction progress by observing changes in
•FORENSIC
functional groups. SCIENCE
•ANALYZES SUBSTANCES LIKE
DRUGS, Monitoring
Environmental EXPLOSIVES, AND FIBERS.
•PROVIDE
•Detects UNIQUE
pollutants SPECTRAL
(e.g., CO₂, NO₂) in air,
FINGERPRINTS
water, and soil. IN FORENSIC
INVESTIGATIONS.
•Monitors air quality and environmental
changes.

•POLYMER ANALYSIS
 ADVANTAGES AND
DISADVANTAGES
ADVANTAGES DISADVANTAGES

1. NON-DESTRUCTIVE: THE SAMPLE 1. Water Interference: Water strongly

REMAINS INTACT AFTER ANALYSIS. absorbs IR, complicating the
2. FAST AND EFFICIENT: PROVIDES analysis of aqueous samples.
QUICK RESULTS, IDEAL FOR HIGH- 2. Complex Interpretation: The
THROUGHPUT ANALYSIS. spectra, particularly in the
3. MINIMAL SAMPLE PREPARATION: fingerprint region, can be difficult
REQUIRES LITTLE PREPARATION, to analyze without expertise.
ESPECIALLY FOR LIQUIDS AND 3. Limited for Large Molecules:
GASES.
Provides less information on
4. PROVIDES STRUCTURAL large molecules like polymers or
INFORMATION: HELPS IDENTIFY proteins.
FUNCTIONAL GROUPS AND
MOLECULAR STRUCTURES.
 CONCLUSION:IR spectroscopy is a powerful and versatile analytical technique
widely used for identifying functional groups, determining molecular structures, and
monitoring chemical reactions. Its non-destructive nature, fast results, and minimal sample
preparation make it a valuable tool across various fields such as pharmaceuticals,
environmental monitoring, and materials science. While it offers significant advantages,
including high sensitivity and the ability to analyze different sample types, its limitations,
such as interference from water and challenges in interpreting complex spectra, must be
considered. Despite these challenges, IR spectroscopy remains an essential method for both
qualitative and quantitative analysis in research and industry.

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