Lecture on Infrared (IR) Spectroscopy
1. Introduction to IR Spectroscopy
What is IR Spectroscopy?
o Infrared (IR) spectroscopy is an analytical technique used to identify and study
chemicals by analyzing the infrared light absorbed by the molecules.
o Molecules absorb specific frequencies of IR light, causing bonds within the molecules
to vibrate at characteristic frequencies.
Basic Principle
o When molecules are exposed to IR radiation, they absorb energy and undergo
transitions in their vibrational states.
o The absorbed frequencies correspond to the natural vibrational frequencies of the
bonds in the molecule.
o The resulting spectrum is a plot of absorbance (or transmittance) vs. frequency
(usually expressed in wavenumbers, cm⁻¹).
2. IR Spectrum and Interpretation
IR Spectrum Features
o Wavenumber Range: Typically from 4000 cm⁻¹ to 400 cm⁻¹.
o Functional Group Region (4000-1500 cm⁻¹): This region gives information about
specific functional groups (e.g., -OH, -NH, C=O).
o Fingerprint Region (1500-400 cm⁻¹): This region is unique for every compound and is
used for identifying the molecular structure.
Vibrational Modes
o Stretching: Changes in bond length.
o Bending: Changes in bond angle.
o Examples include symmetric and asymmetric stretching, scissoring, rocking, wagging,
and twisting.
3. Uses of IR Spectroscopy
Qualitative Analysis
o Identification of functional groups and molecular structures.
o Comparing the spectrum of an unknown sample with reference spectra.
Quantitative Analysis
o Measuring the concentration of compounds in mixtures by using the absorbance at
specific wavelengths.
Applications
o Organic Chemistry: Identifying organic compounds, checking purity, and studying
reaction mechanisms.
o Pharmaceuticals: Analyzing drug formulations and quality control.
o Environmental Monitoring: Detecting pollutants in air and water.
o Material Science: Studying polymers, coatings, and composites.
o Forensic Science: Identifying substances in forensic samples.
4. Instrumentation of IR Spectroscopy
IR Spectrometer Components
o IR Source:
Produces infrared radiation (commonly Globar, Nernst Glower, or tungsten
lamp).
o Sample Handling System:
Sample can be in solid, liquid, or gas form.
Different sample handling techniques: KBr pellets, ATR (Attenuated Total
Reflectance), thin films, and gas cells.
o Monochromator:
Disperses the IR radiation into its component wavelengths (using prisms or
gratings).
o Detector:
Measures the intensity of transmitted or absorbed radiation (common
detectors: MCT (Mercury Cadmium Telluride), DTGS (Deuterated Triglycine
Sulfate)).
o Computer System:
Processes the signal and displays the spectrum.
Types of IR Spectrometers
o Dispersive IR Spectrometers:
Use monochromators to separate different wavelengths before they reach
the detector.
o Fourier Transform Infrared (FTIR) Spectrometers:
Use an interferometer (typically a Michelson interferometer) to collect all
wavelengths simultaneously.
Advantages of FTIR: Higher resolution, faster data collection, and better
signal-to-noise ratio.
5. Practical Considerations and Sample Preparation
Solid Samples:
o Usually prepared by mixing with KBr and pressing into a pellet.
o Alternatively, ATR can be used to analyze solid samples directly.
Liquid Samples:
o Can be analyzed using liquid cells with NaCl or KBr windows.
Gas Samples:
o Analyzed using gas cells, which require longer path lengths to detect the lower
concentrations typically found in gases.
Data Interpretation:
o Careful analysis of the peaks and their intensities allows for the identification of
functional groups and bonding environments within the sample.
6. Conclusion
Summary:
o IR spectroscopy is a powerful tool for identifying and studying chemical substances
based on their vibrational transitions.
o Its wide range of applications in various fields makes it an essential technique in
analytical chemistry.
Future Prospects:
o Continued developments in IR spectroscopy are likely to improve its sensitivity,
resolution, and applications in areas like biomedical research, nanotechnology, and
real-time environmental monitoring.
