STREAM : ECE– A
CLASS : B-Tech(1st year )
SUBJECT :CHEMISTRY
SUBJECT CODE : BS-CH -101
Group : 6
NAME : Sayan Karmakar
STUDENT ID :2413003057
UNIVERSITY ROLL NO: 13000324120
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 energy Each molecule produces a unique
radiation at specific wavelengths transitions within the infrared IR spectrum due to its distinct
that correspond to the vibrational region of the electromagnetic arrangement of atoms and bonds.
frequencies of their chemical spectrum, specifically targeting This spectrum serves as a
bonds. When IR light hits a vibrational energy levels rather “molecular fingerprint,” allowing
molecule, it can cause the bonds than electronic ones. This makes scientists to identify specific
to vibrate in unique ways IR particularly useful for studying compounds and study their
(stretching, bending, etc.), which bond types and functional groups structures based on absorption
leads to absorption at within molecules. patterns.
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:
• Symmetric Stretching: Atoms move in • In-plane bending:
and out simultaneously along the bond 1) Scissoring: Atoms move towards and away from each
axis. other.
2) Rocking: Atoms swing back and forth in the same plane.
• Asymmetric Stretching: Atoms move in
• Out-of-plane bending:
opposite directions along the bond 1)Wagging: Atoms move like a wave out of the bond plane.
axis. 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 molecular Backbone Frameworks:
framework vibrate (stretching, frameworks produce characteristic ▪ Linear Chains: Show characteristic
bending, twisting) at specific absorption bands. C–H and C–C bond vibrations.
frequencies based on their ▪ Cyclic Frameworks: Exhibit unique
bonds and masses. ring vibrations, such as ring
Examples: breathing modes in aromatics (e.g.,
O–H stretch: Broad peak around 3200– benzene around 1500–1600
3600 cm⁻¹ (e.g., alcohols, carboxylic cm⁻¹).
Common modes:
acids). ▪ Conjugated Systems: π-bond
Stretching: Symmetric and
C=O stretch: Strong peak around 1700 interactions affect bond strengths
asymmetric. cm⁻¹ (e.g., ketones, aldehydes).
Bending: Scissoring, rocking, C–H stretch: Peaks around 2800–3100 and IR absorption frequencies.
wagging, and twisting cm⁻¹ (e.g., alkanes, alkenes, aromatics).
SAMPLE PREPARATION
Solid Samples Liquid Samples Gaseous Samples
Grinding: Finely grind the solid
sample using an agate mortar and Clean Salt Plates: Use IR- Use Gas Cell: Introduce the gas
pestle to ensure uniform particle transparent plates (e.g., NaCl sample into a specialized gas cell
size. or KBr) and clean them with IR-transparent windows (e.g.,
thoroughly to remove residues. CaF₂ or ZnSe).
Mixing with KBr: Mix a small amount Sample Placement: Place a
of the ground sample (1–2% by Seal the Cell: Ensure the cell is
drop of the liquid sample on
weight) with dry, IR-grade potassium airtight to prevent contamination or
one plate and sandwich it with
bromide (KBr) powder. loss of the gas.
another to form a thin, uniform
• Pellet Formation: Compress the Adjust Path Length: Select a
film.
mixture into a transparent pellet suitable path length to optimize
Avoid Solvents: Ensure the
using a hydraulic press. absorption signal based on the gas
liquid does not contain water or
• Alternative (ATR): For ATR concentration.
volatile solvents that might
spectroscopy, place the solid sample damage the plates or interfere
directly on the ATR crystal without with IR absorption.
further preparation.
Instrumentations:
infrared (IR) spectroscopy relies on several key
instruments to analyze the absorption of infrared Instrumentations
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 complex preparation.
These instruments collectively enable precise
identification of molecular vibrations and functional
groups.
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.
APPLICATION
• PHARMACEUTICAL APPLICATIONS
Identification of Functional Groups
• CONFIRMS IDENTITY OF RAW MATERIALS AND DRUG FORMULATIONS.ENSURE
• Detect specific functional groups (e.g., O-H, C=O, N-H)
CONSISTENCY AND STABILITY IN PHARMACEUTICAL PRODUCTS.
• Essential for molecular identification.
Structural Elucidation • FORENSIC SCIENCE
• ANALYZES SUBSTANCES LIKE DRUGS, EXPLOSIVES, AND FIBERS.PROVIDE
. • Helps determine the structure of unknown compounds.
UNIQUE SPECTRAL FINGERPRINTS IN FORENSIC INVESTIGATIONS.
• Provide insights into molecular frameworks and bonding.
Quality Control and Purity Testing • POLYMER ANALYSIS
• Ensures chemical purity and detects impurities. • ANALYZES THE COMPOSITION OF POLYMERS AND MATERIALS.
• Used in pharmaceuticals and other industries. • IDENTIFIES MONOMERS, ADDITIVES, AND IMPURITIES.
Chemical Reaction Monitoring • FOOD AND BEVERAGE INDUSTRY
• reaction progress by observing changes in functional
• ASSESSES COMPOSITION (FAT, PROTEIN, MOISTURE) IN FOOD.
groups. • VERIFIES AUTHENTICITY AND QUALITY OF FOOD PRODUCTS.
Environmental Monitoring • MEDICAL APPLICATIONS
• Detects pollutants (e.g., CO₂, NO₂) in air, water, and soil. • ANALYZES BLOOD, TISSUE SAMPLES, AND DETECTS BIOMARKERS.
• USEFUL IN DIAGNOSTICS AND NON-INVASIVE MEDICAL TESTING.
• Monitors air quality and environmental changes.
ADVANTAGES AND DISADVANTAGES
ADVANTAGES DISADVANTAGES
1. NON-DESTRUCTIVE: THE SAMPLE 1. Water Interference: Water strongly
REMAINS INTACT AFTER ANALYSIS. absorbs IR, complicating the analysis
2. FAST AND EFFICIENT: PROVIDES of aqueous samples.
QUICK RESULTS, IDEAL FOR HIGH- 2. Complex Interpretation: The
THROUGHPUT ANALYSIS. spectra, particularly in the fingerprint
3. MINIMAL SAMPLE PREPARATION: region, can be difficult to analyze
REQUIRES LITTLE PREPARATION, without expertise.
ESPECIALLY FOR LIQUIDS AND 3. Limited for Large Molecules:
GASES.
Provides less information on large
4. PROVIDES STRUCTURAL molecules like polymers or proteins.
INFORMATION: HELPS IDENTIFY
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 analise 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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