The FTIR Encyclopaedia

FTIR spectroscopy, explained properly

What FTIR is, how the interferometer actually works, what lives inside the instrument, and how to read a spectrum — the fundamentals in one referenced, citation-friendly page. Written for students, educators and working analysts; free to use in coursework and training.

1 · What is FTIR spectroscopy?

Fourier-transform infrared (FTIR) spectroscopy is a technique for obtaining the infrared absorption or emission spectrum of a solid, liquid or gas. Chemical bonds vibrate — they stretch, bend, rock and twist — at frequencies that fall in the infrared region, and each bond type absorbs infrared light at characteristic frequencies. Measure which frequencies a sample absorbs, and you obtain a molecular fingerprint: evidence of which functional groups are present, and often the identity of the compound itself.

The "Fourier transform" in the name refers to the mathematics, not the chemistry. An FTIR spectrometer does not scan through wavelengths one at a time; it measures all of them simultaneously using an interferometer, then a computer applies a Fourier transform to convert the raw signal (the interferogram) into the familiar spectrum. The first commercial FTIR spectrometer, Digilab's FTS-14, appeared in 1969 — made practical only once minicomputers could perform the transform.

2 · The infrared spectrum and wavenumbers

Infrared work is quoted in wavenumbers (cm⁻¹) — the number of wavelengths per centimetre. Higher wavenumber means higher frequency and higher photon energy. The infrared region divides into three working ranges:

RegionRangeWhat it probesTypical use
Near-IR (NIR)~12,800–4,000 cm⁻¹Overtones and combination bandsProcess control, moisture, chemical imaging
Mid-IR (MIR)~4,000–400 cm⁻¹Fundamental molecular vibrationsThe classic FTIR range — identification and QC
Far-IR~400–10 cm⁻¹Lattice modes, heavy-atom and metal–ligand vibrationsInorganics, crystallinity, THz research

Routine laboratory FTIR lives in the mid-IR, which is why standard optics and windows are specified for 4,000–400 cm⁻¹ — and why window material choice matters so much (see the window materials table in our Sample Preparation Hub).

3 · How an FTIR spectrometer works

At the heart of every FTIR instrument sits a Michelson interferometer: a beamsplitter, a fixed mirror and a moving mirror.

  1. A broadband infrared source emits light containing every wavelength of interest at once.
  2. The beamsplitter divides the beam: half to the fixed mirror, half to the moving mirror. The reflected beams recombine at the beamsplitter and interfere.
  3. As the mirror travels, the optical path difference (OPD) between the two arms changes continuously. Each wavelength is modulated at its own rate, so the recombined beam's makeup changes with every mirror position.
  4. This modulated beam passes through the sample, which absorbs its characteristic frequencies, and lands on the detector. The recorded signal versus mirror position is the interferogram — a large "centreburst" at zero path difference, decaying into wiggles either side.
  5. A fast Fourier transform converts the interferogram (a function of distance, cm) into a spectrum (a function of wavenumber, cm⁻¹).

Two clever details make this precise. A helium–neon laser (633 nm) travels through the same interferometer; its sinusoidal fringes trigger the sampling of the infrared signal at exactly equal path intervals, and simultaneously calibrate the wavenumber axis. And because a real measurement first records a background spectrum (no sample), the final result is a ratio — the instrument's own profile, atmospheric CO₂ and water vapour largely cancel out.

4 · Why "FT" beat the dispersive spectrometer

Older dispersive instruments used a monochromator to scan one narrow wavelength band at a time through slits. Fourier-transform instruments displaced them for three textbook reasons:

  • Fellgett (multiplex) advantage — every wavelength is measured all the time, not each in its brief turn. For a spectrum of m resolution elements, the signal-to-noise ratio improves by roughly √m for the same measurement time — or the same quality arrives far faster.
  • Jacquinot (throughput) advantage — no entrance and exit slits throttling the light. A circular aperture passes far more energy, again lifting signal-to-noise.
  • Connes (wavenumber accuracy) advantage — the axis is calibrated against a laser of precisely known wavelength on every scan, rather than depending on the mechanical position of a grating. Spectra from different days and different instruments line up.

The practical consequence: a bench FTIR records a good-quality mid-IR spectrum in seconds, and co-adding a handful of scans polishes it further (signal-to-noise grows with the square root of the number of scans).

5 · Inside the instrument: source, beamsplitter, detector

ComponentCommon choice (mid-IR)Notes
SourceGlobar — silicon carbide element at ~1,200 KNear-blackbody emitter. NIR uses tungsten–halogen lamps; far-IR uses mercury discharge lamps.
BeamsplitterKBr substrate with germanium coatingCovers ~4,000–400 cm⁻¹ but is hygroscopic — one reason instruments are purged or desiccated. ZnSe resists moisture (to ~500 cm⁻¹); CaF₂ serves the near-IR; CsI or polymer films extend to the far-IR.
Detector (routine)DTGS (deuterated triglycine sulfate) pyroelectricRoom temperature, robust, adequate for most work.
Detector (high performance)MCT (mercury cadmium telluride), liquid-N₂ cooledMuch faster and more sensitive — an interferogram in as little as ~10 ms; the choice for microscopy, kinetics and weak signals.
Reference laserHelium–neon, 633 nmTriggers data sampling and fixes the wavenumber scale (the Connes advantage).

Everything after the interferometer — the sample interface — is the accessory world: ATR units, transmission cells, gas cells, diffuse-reflectance optics. That is the layer Specac has engineered since 1971, and several instrument manufacturers integrate Specac-designed sampling modules into their own spectrometers as OEM components.

6 · Resolution, scans, apodization and the background

Resolution is set by how far the mirror travels: spectral resolution (cm⁻¹) equals the reciprocal of the maximum optical path difference (cm). A 0.25 cm OPD gives 4 cm⁻¹ — the routine setting for solids and liquids, whose bands are naturally broad. Gas-phase work uses 2 cm⁻¹ or finer to resolve rotational structure; research instruments reach 0.001 cm⁻¹.

Scans: co-adding N scans improves signal-to-noise by √N. Sixteen to thirty-two scans is a sensible routine default; quadrupling scan count doubles quality.

Apodization multiplies the interferogram by a taper function before transforming, suppressing the sidelobe artefacts around sharp bands at the cost of slightly broadened peaks — the reason instrument software offers Happ–Genzel, Blackman–Harris and similar options.

The background scan is not optional housekeeping: it captures the source profile, beamsplitter efficiency, detector response and the atmosphere inside the bench. Ratioing sample against background removes them. When you see CO₂ at 2,349 cm⁻¹ or water-vapour combs in a result, the atmosphere changed between background and sample — re-run the background, or purge. Our hub's housekeeping section covers this for Indian humidity specifically.

7 · Sampling techniques — matching method to sample

The spectrometer is only half the measurement; the sampling accessory determines whether the light and the sample meet on useful terms.

TechniqueHow it worksBest for
TransmissionBeam passes through the sample: KBr pellets, mulls, cast films, fixed-path liquid cells, gas cellsQuantitative work, gases, classic library-matched spectra
ATR (attenuated total reflectance)Beam totally internally reflects inside a high-index crystal; an evanescent wave probes ~0.5–2 µm of whatever touches the surfaceThe modern default: solids, pastes, liquids, polymers with near-zero preparation
Diffuse reflectance (DRIFTS)Collects light scattered from powders — the Praying Mantis™ geometry is the recognised standard for heterogeneous catalysis studiesPowders, rough surfaces, in-situ reaction chambers
Specular / grazing angleMirror-like reflection off flat or coated surfaces, at grazing incidence for ultra-thin layersCoatings, films and monolayers on metal
Gas cellsFixed 10 cm paths for concentrated gases; multipass 2.5–10 m cells for trace analysisEmissions, purity, trace contaminants
MicrosamplingDiamond compression cells and beam condensers shrink the beam onto microgram specksForensics, particles, inclusions

Choosing between them is a two-question decision — sample form, then goal. Our Accessory Selector automates it, the Sample Preparation Hub FTIR Encyclopaedia gives the full SOPs, and the ATR vs transmission guide settles the most common either/or.

8 · Reading a spectrum: the functional group map

An IR spectrum plots transmittance (or absorbance) against wavenumber, conventionally 4,000 → 400 cm⁻¹ left to right. Two mental zones: above ~1,500 cm⁻¹, bands map cleanly to functional groups; below it lies the fingerprint region — a dense, molecule-specific pattern ideal for library matching even when individual bands defy assignment.

Band position (cm⁻¹)AssignmentCharacter
3,200–3,550O–H stretch (alcohols, water)Broad
2,500–3,300O–H stretch (carboxylic acids)Very broad
3,300–3,500N–H stretch (amines, amides)Medium; one or two bands
3,000–3,100C–H stretch, aromatic/alkeneJust above 3,000
2,850–2,960C–H stretch, aliphaticStrong; just below 3,000
2,210–2,260C≡N nitrile stretchMedium, sharp
2,100–2,260C≡C alkyne stretchWeak–medium
1,650–1,750C=O carbonyl stretchStrong — the most diagnostic band in IR
1,620–1,680C=C alkene stretchVariable
1,000–1,300C–O stretch (esters, ethers, alcohols)Strong
< 1,500Fingerprint regionMolecule-specific pattern

Worth remembering: a vibration only absorbs infrared light if it changes the molecule's dipole moment. That is why symmetric homonuclear diatomics — N₂, O₂, H₂ — are invisible to FTIR, and why the technique pairs so well with Raman spectroscopy, whose selection rules are complementary.

9 · Quantitative analysis: the Beer–Lambert law

FTIR quantifies as well as identifies. Absorbance obeys the Beer–Lambert law, A = ε·l·c — absorbance equals molar absorptivity × path length × concentration. Fix the path length (a sealed liquid cell with a known spacer, or a gas cell of defined length), calibrate against standards, and band intensity reads out concentration. It is how oil-condition labs track additive depletion, how geologists quantify dissolved H₂O and CO₂ in volcanic glasses, and how gas analysers report ppm levels — the long-path multipass cells in our gas cell range exist precisely to stretch l when c is tiny.

The practical caveats: work in the linear range (very strong bands saturate), keep pathlength genuinely constant, and for aqueous systems keep paths short — water absorbs mid-IR ferociously (≤ 0.025 mm, as detailed in the hub).

10 · Where FTIR earns its keep

  • Pharmaceuticals — raw-material identification, polymorph screening, counterfeit detection; pharmacopoeial ID tests are built on IR.
  • Polymers & materials — resin identification, additive analysis, degradation and cure monitoring, laminate cross-sections under the IR microscope.
  • Food & beverage — authenticity and adulteration screening (edible oils, honey, dairy) with chemometrics.
  • Environmental & gas analysis — stack emissions, ambient monitoring, high-purity gas certification with multipass cells.
  • Catalysis research — in-situ DRIFTS reaction chambers watching surface species form and react at temperature and pressure.
  • Forensics — fibres, paints, drugs and trace evidence via diamond compression cells and microscopy.
  • Geology — volatiles in minerals, glasses and melt inclusions, quantified through Beer–Lambert calibrations.
  • Semiconductors & coatings — grazing-angle analysis of nanometre films and monolayers on wafers and metals.

11 · Strengths and honest limitations

Strengths: fast (seconds per spectrum), non-destructive, minimal or zero sample preparation with ATR, applicable to solids, liquids and gases, quantitative when calibrated, and inexpensive to run.

Limitations: homonuclear diatomics and noble gases give no spectrum; water dominates mid-IR and constrains aqueous work; complex mixtures overlap and may need chromatographic separation or chemometrics; detection limits trail mass spectrometry for trace organics; and glass/quartz containers are opaque below ~2,000 cm⁻¹, which is why dedicated IR windows and cells exist at all.

12 · FTIR — frequently asked questions

What does FTIR stand for?

Fourier-transform infrared spectroscopy. An interferometer measures all infrared wavelengths simultaneously, and a Fourier transform — a mathematical operation — converts that raw interferogram into the spectrum.

What does FTIR actually measure?

How strongly a sample absorbs infrared light at each frequency. Absorptions correspond to molecular bond vibrations, so the spectrum is a fingerprint of the functional groups present — and, matched against libraries, of the compound itself.

How does FTIR work, in one paragraph?

A broadband IR beam enters a Michelson interferometer, where a moving mirror modulates every wavelength at a distinct rate. The beam passes through the sample to a detector, producing an interferogram; a fast Fourier transform converts it into intensity versus wavenumber. Ratioing against a background scan removes the instrument and atmosphere, leaving the sample's spectrum.

Why did FTIR replace dispersive IR instruments?

Three compounding advantages: multiplex (all wavelengths measured at once — Fellgett), throughput (no slits — Jacquinot) and wavenumber accuracy (laser-referenced axis — Connes). Together they deliver better spectra in a fraction of the time.

What can FTIR not detect?

Vibrations that don't change the dipole moment: N₂, O₂, H₂ and noble gases are invisible. Highly dilute analytes in strongly absorbing matrices (especially water) are also difficult without pathlength or accessory strategies.

ATR or transmission — which should I use?

ATR for speed and convenience on solids, pastes, films and neat liquids — press and measure, ~1–2 µm sampled. Transmission for gases, quantitative liquid work in fixed-path cells, and legacy library matching. Our full comparison covers the edge cases.

Why is KBr used for pellets and windows?

Potassium bromide transmits across the whole mid-IR (to ~400 cm⁻¹) and sinters into a clear disc under pressure. Its weakness is hygroscopicity — it dissolves in water and fogs in humid air, so pellets are pressed from dried powder and stored desiccated. The full KBr SOP is in the hub.

What resolution and how many scans should I use?

4 cm⁻¹ and 16–32 scans is the sensible routine default for solids and liquids. Use 2 cm⁻¹ or finer for gases with rotational fine structure. Signal-to-noise improves with the square root of scan count.

What is the background scan for?

It records everything that isn't the sample — source profile, beamsplitter, detector response, atmospheric CO₂ and water vapour — so it can be ratioed out. Bands at 2,349 cm⁻¹ (CO₂) or water combs in your result mean the atmosphere shifted since the background: re-run it or purge.

Is FTIR destructive, and how much sample does it need?

Essentially non-destructive, particularly by ATR, where the sample lifts off intact. Quantities are small: micrograms to a few milligrams for solids, microlitres for liquids, and diamond compression cells push this to single particles.

Can FTIR give concentrations, not just identity?

Yes — via the Beer–Lambert law (A = ε·l·c) with a fixed pathlength and calibration standards. Sealed liquid cells and defined-path gas cells exist precisely to hold l constant.

Do sampling accessories fit my spectrometer?

Almost certainly. Standard slide-mount accessories fit most instruments from Thermo Fisher, PerkinElmer, Bruker, Shimadzu, Jasco and Agilent, among others. Tell us your model when requesting a quote and we confirm the exact baseplate.

13 · Glossary

WavenumberWaves per centimetre (cm⁻¹); the standard IR frequency axis. Higher = more energetic.
InterferogramThe raw detector signal versus mirror position, before Fourier transformation.
OPDOptical path difference between the interferometer's two arms; its maximum sets resolution.
BackgroundA no-sample reference spectrum ratioed out of every measurement.
ATRAttenuated total reflectance — surface sampling via an evanescent wave at a high-index crystal.
Evanescent waveThe shallow (~0.5–2 µm) field that leaks from an ATR crystal into the sample.
DRIFTSDiffuse reflectance infrared Fourier-transform spectroscopy — the powder and catalysis technique.
ApodizationTapering the interferogram to suppress sidelobe artefacts, trading a little resolution.
DTGS / MCTThe workhorse room-temperature detector / the cooled high-sensitivity detector.
Fingerprint regionBelow ~1,500 cm⁻¹, where complex band patterns uniquely identify molecules.
Beer–Lambert lawA = ε·l·c — the basis of quantitative IR analysis.
Fellgett / Jacquinot / ConnesThe multiplex, throughput and wavenumber-accuracy advantages of FT instruments.

From theory to a working measurement

The encyclopaedia explains the instrument; the rest of this site equips it. Step-by-step preparation SOPs, an accessory selector, and the authorised Specac range — with applications advice from Mumbai.

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