What Does FTIR Tell You? Its Uses and Limitations

Fourier Transform Infrared (FTIR) Spectroscopy is an analytical technique that identifies and characterizes substances by measuring how they interact with infrared light. FTIR provides insights into the chemical composition, functional groups, and molecular structure of a sample. This technique helps researchers and industries identify unknown materials and analyze their properties.

The Basic Principle of FTIR

FTIR spectroscopy works by shining infrared (IR) radiation through a sample, which then absorbs some of this energy. Different chemical bonds within a molecule vibrate at specific frequencies. When the frequency of the infrared light matches a natural vibrational frequency of a bond, the light is absorbed, and the unabsorbed light passes through to a detector.

A key component of an FTIR spectrometer is an interferometer, which splits the incoming infrared beam into two paths and recombines them. This process creates an “interferogram,” a complex signal containing information from all infrared frequencies. A mathematical process called a Fourier Transform converts this raw interferogram data into a usable spectrum, which plots the intensity of absorbed light against its corresponding wavelength or wavenumber. This resulting spectrum acts as a unique “molecular fingerprint” for the analyzed material, as each material has a unique spectrum.

Unveiling Molecular Secrets

An FTIR spectrum reveals information about a sample’s molecular composition and structure. Each peak in the spectrum corresponds to the vibration of particular chemical bonds or functional groups within the molecule. For instance, a strong absorption around 1700 cm⁻¹ typically indicates the presence of a carbonyl group (C=O), while a broad band near 3300 cm⁻¹ suggests an O-H stretching vibration, characteristic of alcohols or water. This allows for the identification of functional groups, which are specific arrangements of atoms.

The entire spectrum serves as a unique chemical identity, much like a fingerprint, allowing for the identification of specific compounds by comparing the sample’s spectrum to a library of known spectra. This “fingerprinting” capability is useful for identifying unknown substances or verifying known materials. By analyzing the presence, absence, and shifts in peak positions, FTIR can also provide insights into a molecule’s overall structural arrangement and its surrounding chemical environment.

Beyond qualitative identification, the intensity of the absorption peaks in an FTIR spectrum can provide information about the relative amounts of different components in a mixture. The height or area of a peak is directly proportional to the concentration of the functional group, allowing for quantitative analysis with appropriate standards. This makes FTIR valuable for assessing purity and determining the composition of complex materials.

Real-World Applications of FTIR

FTIR spectroscopy is applied across many fields. In material science, FTIR is used to identify polymers, plastics, and composites, and to monitor their degradation and stability over time. For instance, it can detect new chemical groups, like carbonyls in polyethylene, signaling oxidation and degradation, helping understand material behavior and ensure quality control.

Forensic scientists use FTIR to analyze trace evidence found at crime scenes, such as unknown substances, fibers, paints, and residues. It helps identify the chemical composition of these materials, aiding investigations. FTIR can also identify illicit drugs and their components.

In the pharmaceutical industry, FTIR helps:
Verify the purity of drugs, identify active ingredients, and ensure batch consistency.
Detect counterfeit drugs and monitor drug stability by identifying degradation products.
Detect pollutants and contaminants in air, water, and soil samples for environmental monitoring.
Analyze pigments, dyes, and binding materials in artworks, aiding authentication and restoration.

Beyond the Basics: What FTIR Doesn’t Reveal

While FTIR spectroscopy is a powerful technique, it has specific limitations regarding the type of information it can provide. FTIR primarily focuses on the vibrations of molecular bonds and functional groups, meaning it does not directly reveal the elemental composition of a sample. For example, it can identify a C=O bond, but it cannot quantify the precise percentage of carbon or oxygen atoms present in a sample. Other techniques, such as elemental analysis, are needed for that specific information.

FTIR provides hints about the presence of certain functional groups and their connectivity, but it generally does not provide detailed three-dimensional atomic arrangements like X-ray crystallography. While it can indicate some structural features, it struggles to differentiate between complex isomers or provide precise spatial relationships between atoms in a large molecule. Its sensitivity can also be limited for extremely small quantities of substances, particularly in complex mixtures where absorption bands may overlap, making identification challenging.

Certain symmetrical molecules may not produce an infrared spectrum because their vibrations do not result in a change in dipole moment, which is necessary for IR absorption. Furthermore, water strongly absorbs infrared radiation, which can interfere with the analysis of moist samples or aqueous solutions, often requiring special sample preparation or analytical techniques to mitigate this interference. FTIR is primarily a surface-sensitive technique, especially with certain sampling methods like Attenuated Total Reflectance (ATR), typically analyzing only the top few microns of a sample, which might not represent the bulk material.