FOURIER TRANSFORM INFRARED SPECTROSCOPY
Objective:
Identify Unknown Compounds with FTIR by comparing the IR spectrum of a sample to
reference spectra.
Introduction:
Fourier Transform Infrared Spectroscopy (FTIR) is a sophisticated analytical technique
widely used in environmental monitoring and safety applications. It works by analyzing how
materials absorb infrared light, producing a unique "fingerprint" that reveals their chemical
composition. FTIR is essential for detecting and quantifying pollutants in air, water, and soil,
helping assess environmental quality. Additionally, it plays a crucial role in safety by
identifying harmful gases, monitoring chemical exposure, and assisting in emergency
response efforts. With its high sensitivity, real-time analysis capability, and versatility, FTIR
is a key tool for addressing environmental and industrial safety challenges.
FTIR Apparatus Components:
1. Infrared source to emit radiation.
2. Interferometer to create interference patterns.
3. Beam splitter to divide the light into two beams.
4. Sample holder to position the material under study.
5. Detector to convert light signals into data.
6. Computer and software for data processing and analysis.
7. Optical components such as mirrors and lenses for directing light.
8. Windows for transmitting light without interference.
9. Sampling accessories, such as ATR, for specific applications.
Figure 1: FTIR
Theory
1. Infrared Absorption and Molecular Vibrations
Molecules consist of atoms bonded together, and these bonds vibrate at specific frequencies.
When infrared radiation is directed through a sample, it can excite these vibrations, causing
the bonds to stretch or bend. The absorption of infrared light occurs at frequencies
corresponding to the natural vibrational frequencies of these bonds. These vibrations are
generally classified into two main types:
Stretching vibrations: These involve changes in the distance between two atoms, either
symmetrically or asymmetrically.
Bending vibrations: These involve changes in the angle between bonds, including
movements like scissoring, rocking, wagging, or twisting.
Each bond type has a characteristic absorption frequency, typically within the range of 4000
cm⁻¹ to 400 cm⁻¹, which corresponds to the mid-infrared region of the electromagnetic
spectrum. When a sample absorbs infrared light at a specific frequency, it causes a decrease
in the measured light intensity at that frequency.
2. Fourier Transform and Interferogram
FTIR spectrometers use the Fourier transform, a mathematical method, to convert raw data
(known as an interferogram) into a usable spectrum. Here's how the process works:
Interferometer: The FTIR spectrometer includes an interferometer, often a Michelson
interferometer, that splits the incoming infrared light into two beams. One beam is directed
at the sample, and the other is directed at a reference mirror.
Path Length Difference: The interferometer moves one of the mirrors, creating a varying
path length for one of the beams. This results in constructive and destructive interference,
producing a pattern of light intensities known as an interferogram.
Fourier Transform: The interferogram contains data about all the frequencies of infrared
radiation, but in a time-domain format (intensity vs. time). A Fourier transform is then
applied to convert this time-domain data into a frequency-domain spectrum, where light
absorption at specific frequencies is plotted against wavenumber (cm⁻¹).
Absorption Spectrum
The output from an FTIR spectrometer is an absorption spectrum, where the x-axis represents
the wavenumber (inversely related to wavelength) and the y-axis represents absorbance or
transmission of light. Key features of the FTIR spectrum include:
Peaks: These correspond to the absorption of specific vibrational modes in the sample. Each
peak represents a bond or molecular group absorbing infrared light at a particular
frequency.
Fingerprint Region: This region, typically between 1500 cm⁻¹ and 400 cm⁻¹, is unique to each
molecule and provides a distinct pattern of peaks used for substance identification. It
contains numerous absorption bands that are primarily used for molecular identification.
Functional Group Region: Above 1500 cm⁻¹, this region displays broader peaks associated
with functional groups such as hydroxyl (-OH), carbonyl (C=O), amine (N-H), and others.
2. Fourier Transform and Interferogram
FTIR spectrometers use the Fourier transform, a mathematical method, to convert raw data
(known as an interferogram) into a usable spectrum. Here's how the process works:
Interferometer: The FTIR spectrometer includes an interferometer, often a Michelson
interferometer, that splits the incoming infrared light into two beams. One beam is directed
at the sample, and the other is directed at a reference mirror.
Path Length Difference: The interferometer moves one of the mirrors, creating a varying
path length for one of the beams. This results in constructive and destructive interference,
producing a pattern of light intensities known as an interferogram.
Fourier Transform: The interferogram contains data about all the frequencies of infrared
radiation, but in a time-domain format (intensity vs. time). A Fourier transform is then
applied to convert this time-domain data into a frequency-domain spectrum, where light
absorption at specific frequencies is plotted against wavenumber (cm⁻¹).
Absorption Spectrum
The output from an FTIR spectrometer is an absorption spectrum, where the x-axis represents
the wavenumber (inversely related to wavelength) and the y-axis represents absorbance or
transmission of light. Key features of the FTIR spectrum include:
Peaks: These correspond to the absorption of specific vibrational modes in the sample. Each
peak represents a bond or molecular group absorbing infrared light at a particular
frequency.
Fingerprint Region: This region, typically between 1500 cm⁻¹ and 400 cm⁻¹, is unique to each
molecule and provides a distinct pattern of peaks used for substance identification. It
contains numerous absorption bands that are primarily used for molecular identification.
Functional Group Region: Above 1500 cm⁻¹, this region displays broader peaks associated
with functional groups such as hydroxyl (-OH), carbonyl (C=O), amine (N-H), and others.
Figure 2: Working Principle FTIR
FTIR Working Principle
1. A broad-spectrum source emits infrared radiation.
2. An interferometer divides the radiation into two separate beams.
3. The sample absorbs infrared light at specific wavelengths, depending on its
molecular vibrations.
4. The transmitted light is measured by the detector.
5. The time-domain data (interferogram) is converted into a frequency-domain
absorption spectrum using a Fourier transform.
6. The resulting spectrum is analyzed to identify the sample's molecular composition
and chemical bonds.
APPLICATION OF FTIR
1. Environmental Monitoring:
Detects pollutants in air, water, and soil.
Identifies harmful gases such as CO₂, CO, methane, and VOCs (volatile organic
compounds).
2. Pharmaceuticals:
Used for drug analysis, quality control, and ensuring the purity of pharmaceutical
products.
Identifies active ingredients and excipients in drug formulations.
3. Forensic Science:
Analyzes materials like fibers, drugs, and explosives.
Helps identify substances found at crime scenes.
4. Food and Agriculture:
Tests food composition, including fats, proteins, and sugars.
Assesses the quality and authenticity of food products.
5. Polymers and Materials Science:
Identifies polymer compositions and additives.
Analyzes the structure and degradation of materials.
6. Chemical Industry:
Identifies chemical compounds and their concentrations in mixtures.
Ensures quality control in the production of chemicals.
7. Medical and Biomedical Applications:
Analyzes blood, urine, and tissues for disease markers.
Assists in drug development and toxicology studies.
8. Hazardous Materials and Safety:
Identifies toxic gases or chemical hazards in industrial settings.
Used in emergency response to detect harmful substances.
9. Research and Development:
Helps scientists study molecular structures and reactions in materials and chemicals.
Interpreting the FTIR Spectrum
1. Peak Positions:
Peaks correspond to different molecular vibrations. Based on the observed peaks, the
compound mixture likely includes:
Phenol: O-H stretch around 3432 cm⁻¹, aromatic C-H bending near 850 and 766 cm⁻¹.
Isopropanol or Ethanol: O-H stretch around 3432 cm⁻¹, C-O stretch near 1153 cm⁻¹.
Toluene: Aromatic C-H bending near 766 cm⁻¹ and C-H bending around 1371 cm⁻¹.
These compounds are suggested based on standard FTIR peak assignments and observed
functional group regions.
2. Peak Intensity:
The intensity of the peaks reflects the concentration of specific bonds; more intense peaks
often indicate a higher concentration.
3. Comparative Analysis:
Spectra are frequently compared to reference spectra from databases to identify substances
or confirm compound structures.
Figure 3: Spectrum
ADVANTAGES
1: Non-destructive:
FTIR does not require sample preparation or alteration, allowing the sample
to be preserved for further analysis.
2: Fast and Efficient:
The technique provides rapid results, often within minutes, making it suitable
for high-throughput analysis.
3: High Sensitivity:
FTIR can detect very low concentrations of compounds, making it ideal for
trace analysis.
4: Wide Range of Applications:
It can analyze solids, liquids, and gases, making it versatile across many
industries.
5: Minimal Sample Preparation:
Samples can often be analyzed directly with little to no preparation, saving
time and effort.
6: Quantitative and Qualitative Analysis:
FTIR can provide both qualitative (identifying functional groups) and
quantitative (measuring concentration) data.
7: High Resolution:
FTIR spectra have high resolution, allowing for precise identification of
chemical bonds and functional groups.
8: Comprehensive Chemical Information:
The technique provides detailed information about molecular vibrations,
allowing for the identification of complex chemical structures.
9: Portable Options:
Portable FTIR devices are available, allowing for field analysis and real-time
monitoring.
10: Cost-Effective:
Compared to some other analytical techniques, FTIR is relatively cost-
effective, especially for routine analysis
COMMENTS
FTIR is a powerful, fast, and non-destructive technique that provides valuable chemical
information with minimal sample preparation. Its versatility and high sensitivity make it an
essential tool across industries, from environmental monitoring to pharmaceuticals.
REFERENCES
1: Griffiths, P. R., & de Haseth, J. A. (2007). Fourier Transform Infrared Spectrometry (2nd
ed.). Wiley-Interscience.
2: Smith, B. C. (2011). Infrared Spectral Interpretation: A Systematic Approach. CRC Press.
3: Tanaka, K., & Shimizu, Y. (2018). Application of Fourier Transform Infrared Spectroscopy
to Environmental Analysis. Journal of Environmental Science and Health, Part A, 53(10), 790-
797.
4: Perry, J. H., & Green, D. W. (1997). Perry's Chemical Engineers' Handbook (7th ed.).
McGraw-Hill.
