ReactIR In-Situ Reaction Analysis

Understand Reaction Kinetics, Mechanisms, and Pathway to Optimize Reaction Variables

ReactIR™ FTIR spectrometers enable scientists to measure reaction trends and profiles in situ and in real-time, providing highly specific information about kinetics, mechanism, pathways, and the influence of reaction variables on performance.

Using ReactIR, directly track reactants, reagents, intermediates, products, and by-products as they change during the course of the reaction. ReactIR provides critical information to scientists as they research, develop and optimize chemical compounds, synthetic routes, and chemical processes.

FTIR Spectrometers for Stable, Scalable, Consistent Process Development

ReactIR 701L

Liquid Nitrogen MCT

High-sensitivity detector with >24 hour hold time for demanding applications. Læs mere

ReactIR 702L

TE-Cooled MCT

Solid-state detector cooling delivers high performance without the need for liquid nitrogen. Læs mere

ReactIR 45P

Process FTIR

Transfer reaction understanding across scales, from the laboratory to classified plant areas. Læs mere

Reaction Analysis Simplified

In order to understand chemical reactions, chemists must address the following:

When does the reaction start? When does the reaction stop?
What are the reaction kinetics and mechanism?
What is the effect of those transient intermediates?
Did it react as expected? Did any by-products form and why?
What happens if reaction temperature, dosing rates, and mixing rates change?

In order to get to the best data and analyze reactions quickly, these are five key areas that ReactIR FTIR spectrometer leverages so that reaction understanding is available for every chemist—expert or not.

Broad Range of In-Situ FTIR Probes

ReactIR probes are designed to operate over a wide range of conditions to enable the analysis of virtually any type of chemistry:

Low to high temperature
Low to high pressure
Under acidic, basic, caustic, oxidizing, and aqueous conditions

Probe- and flow-based sampling technologies enable scientists to study liquid phase chemistry in batch or continuous setups.

Learn more about DST Sampling Technology.

Best-In-Class Performance

From probe to detector to software, ReactIR is optimized for use in the mid-IR "fingerprint" region, resulting in a highly sensitive system for fast and accurate molecular information.

ReactIR directly follows the concentration of key reaction species as they change during the course of the reaction.

Versatile FTIR Spectrometers

Solutions from Lab to Plant

Small enough to fit in a fume hood, ATEX rated to fit in a plant, and sampling technology to sample any reaction or process. ReactIR can be used to prove that what happens in the plant is what you observed in the lab.

One Click Analytics™

Designed specifically for time-resolved reaction analysis, iC IR software combines a peak picking algorithm with functional group intelligence to drastically reduce analysis time. Læs mere

Reaction Analysis Experts

As a company, METTLER TOLEDO has over 30 years of dedicated reaction analysis experience. This is our focus and our passion. We built this expertise into fit-for-purpose FTIR spectrometers.

ReactIR FTIR spectrometers work in a wide range of chemistries. Find out how scientists gain insight into their reactions and processes in these application areas:

Why Choose ReactIR Over Offline Analysis?

Traditionally, to obtain reaction information, samples are taken for offline analysis using HPLC. For chemistries in which sample removal results in the loss of key information, or are toxic or otherwise hazardous, this procedure is not straightforward. Furthermore, chemists must be present to take the sample and then wait for the results before reaction analysis can begin.

These problems have implications, including:

The sample may not be representative
Destruction of intermediate leads to incorrect pathway hypothesis
Understanding of air-sensitive, toxic, explosive, or pressure systems
Longer development times due to erroneous data because the reaction changed
Critical events that impact product or process quality may be missed

ReactIR FTIR spectrometers alleviate these issues and allow scientists to observe intermediates that form in real time without disrupting the reaction.

FTIR Spectrometer FAQs

Is FTIR or Raman better for my application?

Raman and FTIR spectrometers offer molecular information about the structure and composition of chemical and biological samples. Because of the fundamental principles that govern each technology, both can yield complementary information. However, frequently one technology is a better choice, depending on the nature of the application.

Learn more about Raman vs. FTIR spectroscopy.

What are FTIR spectrometers used for?

Fourier transform infrared (FTIR) spectrometers are used in both industry and academic laboratories to better understand the molecular structure of materials as well as the kinetics, mechanisms, and pathways in chemical reactions and catalytic cycles. FTIR spectrometers help in understanding the structure of individual molecules and the composition of molecular mixtures. FTIR spectrometers have broad use and applicability in the analysis of molecules important in the pharmaceutical, chemical, and polymer industries.

What is FTIR spectroscopy?

Fourier transform infrared (FTIR) is a type of infrared (IR) spectroscopy that has been in existence for several decades now as a valuable tool to interrogate samples of unknown composition. FTIR is one of the most heavily used optical spectroscopy techniques by scientists in academia, government, and the industrial sector. Infrared spectroscopy takes advantage of the fact that atom-to-atom bonds vibrate at specific frequencies.

When energy, comprised of multiple frequencies (such as that from an infrared source), is introduced to these molecular vibrations, an absorption of that infrared energy occurs at that same molecular vibrational frequency. Plotting the intensity of the absorbance across a range of frequencies, yields an infrared spectrum. Furthermore, bonds of different types (e.g., double, triple) and different atoms (e.g, C–O, C–H, C–N, etc.) each have specific vibrational frequencies.

The specificity of these vibrational frequencies can be thought of as a fingerprint of the atom-to-atom bonds that make up a given molecule. This fingerprint then makes it possible to identify molecules or compounds in a mixture and likewise can detect the making and breaking of chemical bonds that occur in a reaction.

Learn more about FTIR spectroscopy.

What is the difference between IR and FTIR?

FTIR (Fourier transform infrared) is a type of IR (Infrared) spectroscopy, that allows scientists to probe the vibrations of molecules. Infrared Spectroscopy was traditionally a dispersive technique, making use of technology such as a monochromator to scan across the wavelengths of the infrared spectrum. With FTIR spectroscopy, all the wavelengths of light are measured at the same time, using an interferometer. The infrared spectrum is then obtained through a mathematical transformation called a Fourier transform. As all the wavelengths are measured simultaneously, FTIR can collect spectra much faster than scanning techniques.

Learn more about FTIR spectroscopy.

FTIR Spectrometer Resources

Reaction Insight from Every Experiment

HPLC is a valuable workhorse in your lab, but what really happens between samples?

Real-Time Reaction Analysis Guide

A Guide Reviewing the Advantages and Importance of Real-Time Reaction Analysis – A Key Element in Any PAT Strategy

ReactIR™ Spectroscopy in Peer-Reviewed Publications

Extensive List of References Published from 2020 to May 2023

7 Key Crystallization Mechanisms

Hidden Mechanisms That Can Influence Your Crystallization Process

Monitoring Reaction Mechanisms Inline

Guide to Inline Monitoring of Reaction Mechanisms

FTIR Spectrometers in Journal Publications

Continuous measurements from infrared spectrometers are used for obtaining reaction profiles to calculate reaction rates. A list of publications from peer-reviewed journals focuses on exciting and novel applications of FTIR spectroscopy. Researchers in both academia and industry employ in-situ mid-FTIR spectrometers to provide comprehensive information and rich experimental data to advance their research.

Liu, J., Sato, Y., Yang, F., Kukor, A. J., & Hein, J. E. (2022). An Adaptive Auto‐Synthesizer using Online PAT Feedback to Flexibly Perform a Multistep Reaction. Chemistry Methods, 2(8). https://doi.org/10.1002/cmtd.202200009
Malig, T. C., Kumar, A., & Kurita, K. L. (2022). Online and In Situ Monitoring of the Exchange, Transmetalation, and Cross-Coupling of a Negishi Reaction. Organic Process Research & Development, 26(5), 1514–1519. https://doi.org/10.1021/acs.oprd.2c00081
Naserifar, S., Kuijpers, P. F., Wojno, S., Kádár, R., Bernin, D., & Hasani, M. (2022). In situ monitoring of cellulose etherification in solution: probing the impact of solvent composition on the synthesis of 3-allyloxy-2-hydroxypropyl-cellulose in aqueous hydroxide systems. Polymer Chemistry, 13(28), 4111–4123. https://doi.org/10.1039/d2py00231k
Talicska, C. N., O’Connell, E. C., Ward, H. W., Diaz, A., Hardink, M., Foley, D. P., Connolly, D., Girard, K. P., & Ljubicic, T. (2022d). Process analytical technology (PAT): applications to flow processes for active pharmaceutical ingredient (API) development. Reaction Chemistry and Engineering, 7(6), 1419–1428. https://doi.org/10.1039/d2re00004k
Wei, B., Sharland, J. C., Blackmond, D. G., Musaev, D. G., & Davies, H. M. L. (2022). In Situ Kinetic Studies of Rh(II)-Catalyzed C–H Functionalization to Achieve High Catalyst Turnover Numbers. ACS Catalysis, 12(21), 13400–13410. https://doi.org/10.1021/acscatal.2c04115
Foth, P. J., Malig, T. C., Yu, H., Bolduc, T. G., Hein, J. E., & Sammis, G. M. (2020). Halide-Accelerated Acyl Fluoride Formation Using Sulfuryl Fluoride. Organic Letters, 22(16), 6682–6686. https://doi.org/10.1021/acs.orglett.0c02566
Hu, C., Shores, B. T., Derech, R. A., Testa, C. J., Hermant, P., Wu, W., Shvedova, K., Ramnath, A., Ismaili, L. Q. A., Su, Q., Sayin, R., Born, S. C., Takizawa, B., O’Connor, T. G., Yang, X., Ramanujam, S., & Mascia, S. (2020b). Continuous reactive crystallization of an API in PFR-CSTR cascade with in-line PATs. Reaction Chemistry and Engineering, 5(10), 1950–1962. https://doi.org/10.1039/d0re00216j
Yang, L., Zhang, Y., Cheng, J., & Yang, C. (2019). Solubility and thermodynamics of polymorphic indomethacin in binary solvent mixtures. Journal of Molecular Liquids, 295, 111717. https://doi.org/10.1016/j.molliq.2019.111717
Doki, N., Seki, H., Takano, K., Asatani, H., Yokota, M., & Kubota, N. (2004). Process Control of Seeded Batch Cooling Crystallization of the Metastable α-Form Glycine Using an In-Situ ATR-FTIR Spectrometer and an In-Situ FBRM Particle Counter. Crystal Growth & Design, 4(5), 949–953. https://doi.org/10.1021/cg030070s

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