FTIR Spectroscopy | Fourier Transform Infrared Spectroscopy
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FTIR Spectroscopy

FTIR Spectroscopy with In Situ Reaction Monitoring

Understand Reaction Kinetics, Pathway and Mechanism with Real Time FTIR Spectroscopy

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In Situ FTIR Spectroscopy for Lab and Process
ReactIR in situ Fourier Transform Infrared (FTIR) spectroscopy delivers the performance, sampling versatility and intuitive reaction analysis software for information and understanding about chemistry.  ReactIR in situ FTIR Spectroscopy provides real-time reaction monitoring in both lab and process environments.  Attenuated Total Reflection (ATR) provides data about conversion, intermediates, reaction initiation, and endpoint.

Fourier Transform Infrared (FTIR) Spectroscopy

FTIR Spectroscopy in Real Time

For Safe, Reliable and Robust Processes

Every new chemical entity (NCE) that enters commercial production must go through a development process where both the chemistry and chemical process must be fully understood to make a safe, reliable, robust process. ReactIR in situ Fourier Transform Infrared (FTIR) spectroscopy answers fundamental questions about the chemical reaction itself – when does it start, when does it stop, does the reaction go via the expected mechanism, what are the kinetics?

FTIR Spectroscopy

ReactIR In Situ Reaction Monitoring

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

  • When does the reaction start?
  • When does the reaction stop?
  • What are the reaction mechanisms?
  • Did it react as expected? Did any by-products or intermediates form?
  • When and how quickly the components react?

Traditionally, to answer these questions, samples must be taken for offline analysis, such as HPLC. However, for chemistries that are toxic, under pressure, or conducted in extreme temperatures, this procedure is not straightforward and chemists must wait for the results before reaction analysis can begin.

In situ Fourier Transform Infrared (FTIR) spectroscopy provides detailed information about reaction initiation, endpoint, and kinetics for real-time reaction understanding and optimization.

ReactIR FTIR spectroscopy is inserted into the reaction vessel where it collects spectra over time at reaction conditions. Because absorbance is proportional to concentration, you can profile spectra over time for reaction profiles that provide a clear map of reaction progression for representative and real-time reaction analysis.

FTIR Spectroscopy Applications

ReactIR FTIR Spectroscopy works in a wide-range of chemistries in which the molecule is infrared active, the chemistry is in solution or off-gas, and the concentration is higher than ~0.1%. 

Common FTRI Spectroscopy application areas include:

Reaction Analysis For Lab and Production

FTIR Spectroscopy

For Lab and Production

Improve research and development of chemical compounds, synthetic routes and processes with ReactIR 15 and ReactIR 45m FTIR spectroscopy. For scale-up studies and production monitoring, ReactIR 45P HL FTIR process analyzer is ideal for challenging production environments where HazLoc certifications are required.  ReactIR 45 GP FTIR process analyzer is best for process development in the lab and scale-up where HazLoc certification is not required.  ReactIR for Continuous Flow Chemistry delivers real-time structural information across a range of functional groups/chemistries.

FTIR Spectroscopy Sampling Technology

Reaction Monitoring Under Any Chemical Conditions With FTIR Spectroscopy

Sample and study different phases (gas or liquid) of chemical reactions under a wide range of conditions - high and low temperature, high pressure and under vacuum, acidic, caustic, corrosive. ReactIR sampling technology options for implementation in batch or flow reactors enable the monitoring of reactions in lab and production environments.

Fourier Transform Infrared (FTIR) Spectroscopy

In Situ FTIR Spectroscopy

in Recent Journal Publications

Continuous measurements from infrared spectroscopy 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 in situ FTIR spectroscopy.  Researchers in academia and industry employ in situ mid-FTIR spectroscopy routinely to provide comprehensive information and rich experimental data that to advance their research.

Reaction Kinetics & Mechanism Studies

The paper highlights how in situ FTIR spectroscopy was used in conjunction with traditional offline analytical techniques to gain valuable insight, mechanistic understanding, and model validation of the chemical reactions being studied.  

Products and Specs

Chemical Reaction Monitoring in real time

 
Products and Specs
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For Use In
Material No.: 14000003
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For Use InLaboratory
SoftwareiC IR
DetectorLN2 NCT; SE MCT
Optical Range (Base Unit)4000 – 650 cm-1
Purge RequirementNo
Dimensions (WxHxD)180 mm x 274 mm x 249 mm
Weight20 lb (9 kg)
CommunicationUSB 2.0
Resolution4 cm-1 maximum
Probe Optical Window2500 – 650 cm-1 maximum (Fiber Probe)
Wetted MaterialsAlloy C22; Diamond or Silicon; Gold
Probe Pressure (Maximum)69bar (6.3 & 9.5mm Fiber Probe); 107bar (Sentinel)
Probe Temperature (Maximum)180°C (Fiber Probe); 200°C (Sentinel)
Safety CertificationEMC Directive 2004/109/EC, Low Voltage Directive 2006/95/IEC
Probe pH Range1 – 14 (Diamond); 1 – 9 (Silicon)
Material No.: 14000003
See details
Read more See less
For Use InLaboratory
SoftwareiC IR
DetectorLN2 NCT; SE MCT
Optical Range (Base Unit)4000 – 650 cm-1
Purge RequirementNo
Dimensions (WxHxD)180 mm x 274 mm x 249 mm
Weight20 lb (9 kg)
CommunicationUSB 2.0
Resolution4 cm-1 maximum
Probe Optical Window2500 – 650 cm-1 maximum (Fiber Probe)
Wetted MaterialsAlloy C22; Diamond or Silicon; Gold
Probe Pressure (Maximum)69bar (6.3 & 9.5mm Fiber Probe); 107bar (Sentinel)
Probe Temperature (Maximum)180°C (Fiber Probe); 200°C (Sentinel)
Safety CertificationEMC Directive 2004/109/EC, Low Voltage Directive 2006/95/IEC
Probe pH Range1 – 14 (Diamond); 1 – 9 (Silicon)
Material No.: 14170003
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For Use InLaboratory
SoftwareiC IR
DetectorLN2 NCT
Optical Range (Base Unit)4000 – 650 cm-1
Purge RequirementYes
Dimensions (WxHxD)216 mm x 381 mm x 279 mm
Weight35 lb (16 kg)
CommunicationUSB cable
Resolution4 cm-1 maximum
Probe Optical Window2500 – 650 cm-1 maximum (Fiber Probe); 4000 – 650 cm-1 (Sentinel)
Wetted MaterialsAlloy C22; Diamond or Silicon; Gold
Probe Pressure (Maximum)107bar (Sentinel); 69bar (6.3 & 9.5mm Fiber Probe)
Probe Temperature (Maximum)180°C (Fiber Probe); 200°C (Sentinel)
Safety CertificationEMC Directive 2004/109/EC, Low Voltage Directive 2006/95/IEC
Probe pH Range1 – 14 (Diamond); 1 – 9 (Silicon)
Material No.: 14474487
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For Use InLab, Pilot Plant or Production
SoftwareiC IR; iC Process
DetectorDTGS; SE MCT
Optical Range (Base Unit)4000 – 650 cm-1
Purge RequirementYes
Dimensions (WxHxD)457 mm x 523 mm x 310 mm
Weight37 kg
CommunicationEthernet TCP/IP
Resolution4 cm -1 maximum
Probe Optical Window2500 – 650 cm-1 maximum (Fiber Probe); 4000 – 650 cm-1 (Sentinel)
Wetted MaterialsAlloy C-22; Diamond or Silicon; Gold
Probe Pressure (Maximum)107bar (Sentinel); 69bar (6.3 & 9.5mm Fiber Probe)
Probe Temperature (Maximum)180°C (Fiber Probe); 200°C (Sentinel)
Safety CertificationArea Classification – NON-HAZARDOUS, MET Mark E112462, UL61010-1 & CSA C22.2 No. 61010-1
Probe pH Range1 – 14 (Diamond); 1 – 9 (Silicon)
Material No.: 14474485
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For Use InLab, Pilot Plant or Production
SoftwareiC IR; iC Process
DetectorDTGS; SE MCT
Optical Range (Base Unit)4000 – 650 cm-1
Purge RequirementYes
Dimensions (WxHxD)457 mm x 774 mm x 310 mm
Weight45 kg
CommunicationLC terminated Ethernet TCP/IP, duplex fiber optic
Resolution4 cm -1 maximum
Probe Optical Window2500 – 650 cm-1 maximum (Fiber Probe); 4000 – 650 cm-1 (Sentinel)
Wetted MaterialsAlloy C-22; Diamond or Silicon; Gold
Probe Pressure (Maximum)107bar (Sentinel); 69bar (6.3 & 9.5mm Fiber Probe)
Probe Temperature (Maximum)180°C (Fiber Probe); 200°C (Sentinel)
Safety CertificationArea Classification – HAZARDOUS, MET Mark E112462, UL61010-1 & CSA C22.2 No. 61010-1; ATEX listing - TRAC12ATEX0001X, Equipment marking - Ex d op pr px [ia IIC] IIB+H2 T4 Gb; NFPA 496, Class I, Division 1, Groups B, T4
Probe pH Range1 – 14 (Diamond); 1 – 9 (Silicon)
Material No.: 30456495
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For Use InLaboratory
SoftwareiC IR
DetectorTE MCT
Optical Range (Base Unit)4000 - 800 cm-1
Purge RequirementNo
Weight9.2 lb (4.2 kg)
CommunicationUSB
Resolution4 cm-1 maximum
Probe Optical Window2500 – 650 cm-1 maximum (Fiber Probe); 2500 - 650 cm-1 maximum (Micro Flow Cell); 4000 – 650 cm-1 (Sentinel)
Wetted MaterialsAlloy C22; Diamond or Silicon; Gold or PTFE
Probe Pressure (Maximum)69bar (6.3 & 9.5mm Fiber Probe); 35bar (Micro Flow Cell); 206bar (Sentinel)
Probe Temperature (Maximum)180°C (Fiber Probe); 60°C (Micro Flow Cell); 300°C (Sentinel)
Safety CertificationNRTL/C: UL 61010-1, CSA 22.2 No. 61010-1, EN 61326; CE: EN/IEC 61010-1:2012, IEC 61326
Probe pH Range1 – 14 (Diamond); 1 – 9 (Silicon)
Comparison

Documentation

FTIR Spectroscopy for Chemical Reaction Monitoring

Datasheets

ReactIR 15
ReactIR 15
Study reaction progression and gain specific information about reaction initiation, conversion, intermediates and endpoint.
ReactIR 45m
ReactIR 45m
A real-time, in situ mid-infrared FTIR system monitors reactive chemistry to track reactants, products and intermediates under actual reaction conditi...
ReactIR 45P In Situ Process FTIR
ReactIR 45P In Situ Process FTIR
Successfully move processes from lab to pilot plant and production with in situ process FTIR spectroscopy. Gain in-depth reaction understanding, ident...
ReactIR Sampling Technology
ReactIR Sampling Technology
ReactIR in situ sampling technology assures usability in a wide range of batch and continuous reaction conditions.
ReactIR Instrument Performance Assurance (IPA) Module
ReactIR Instrument Performance Assurance (IPA) Module
Validate ReactIR wavenumber accuracy and calibrate to a Polystyrene standard certified by the National Institute of Standards and Technology (NIST) fo...

ReactIR Citations

ReactIR Citation List
ReactIR Citation List
Continuous measurements from infrared spectroscopy are widely used for obtaining reaction profiles, which are used to calculate reaction rates. This...

Brochures

ReactIR Brochure
Reaction Analysis and PAT Tools
Understand reaction chemistry with ReactIR In Situ FTIR spectroscopy

Applications

Chemical Synthesis
Chemical Synthesis
Chemists working in chemical synthesis discover and develop innovative chemical reactions and processes.
Chemical Process Development & Scale-Up
Chemical Process Development & Scale-Up
Design Robust and Sustainable Chemical Processes For Faster Transfer To Pilot Plant and Production
Process Analytical Technology (PAT)
Process Analytical Technology (PAT)
Process Analytical Technology (PAT) is changing the way R&D, scale-up, and manufacturing are performed. PAT transforms productivity, improves safety,...
Measuring Polymerization Reactions
Measuring Polymerization Reactions
Measuring and understanding polymerization reactions, mechanisms, kinetics, reactivity ratios, and activation energies lead researchers to employ in s...
Fermentation and BioProcessing
Fermentation and BioProcessing
Characterize & Optimize Fermentation & Bioprocesses in Real Time to Maximize Production
Continuous Flow Chemistry
Continuous Flow Chemistry
Continuous flow chemistry opens options with exothermic synthetic steps that are not possible in batch reactors, and new developments in flow reactor...
Anti-Solvent Addition on Supersaturation
Using AntiSolvent For Crystallization
In an antisolvent crystallization, the solvent addition rate, addition location and mixing impact local supersaturation in a vessel or pipeline. Scien...
Temperature Effects Crystallization Size and Shape
Kinetics of Crystallization in Supersaturation
Crystallization kinetics are characterized in terms of two dominant processes, nucleation kinetics and growth kinetics, occurring during crystallizati...
Chemical Reaction Kinetics Studies
Chemical Reaction Kinetics Studies
In situ chemical reaction kinetics studies provide an improved understanding of reaction mechanism and pathway by providing concentration dependences...

Related Products and Solutions

chemical synthesis reactors
Chemical Synthesis Reactors
Chemical synthesis reactors increase productivity in the lab
EasySampler
EasySampler 1210
EasySampler was designed to eliminate these challenges by providing an automated and robust inline method of taking representative samples from reacti...
Inline Particle Size Distribution & Particle Shape Analysis
Particle Size Distribution Analysis
Understand, Optimize & Control Particle & Droplets With Real-Time In Situ Particle System Characterization
Reaction Calorimeters RC1
Reaction Calorimeters
Reaction Calorimetry For Screening, Process Development, and Process Safety Studies

Software

iC IR Software
iC IR Software
Spectroscopic data increases chemical understanding and knowledge of the chemical process, including reaction initiation, endpoint, mechanism, pathway...
iC Kinetics Software
iC Kinetics Software
Optimize chemical reactions with a fast graphical way to describe the characteristics of a chemical reaction and create a kinetic model. This model c...
iC Process Software
iC Process Software
Monitor critical control parameters determined in the laboratory to production environment. Supports industry standard communication protocols for in...
iC Data Center
iC Data Center
Capture, Prepare, Share Experimental Data

Posters

Monitoring of Reaction Mechanisms
Monitoring Reaction Mechanisms Inline
Data is collected in the mid-infrared spectral region, which provide a characteristic fingerprint absorbance that is associated with fundamental vibr...

Services

Explore our Services - Tailored to Fit your Equipment

We support and service your measurement equipment through its entire life-cycle, from installation to preventive maintenance and calibration to equipment repair.

Uptime
Support & Repair
Performance
Maintenance & Optimization
Compliance
Calibration & Quality
Expertise
Training & Consulting

FAQ

FTIR Spectroscopy with ReactIR FAQ

Why use Mid-Infrared ATR-FTIR Spectroscopy?

In many instances, reaction understanding requires the construction of accurate reaction profiles for each species that are expressed as concentration versus time, leading to the determination of reaction kinetics.  In Situ Mid-Infrared ATR-FTIR Spectroscopy is an ideal technique to provide this information, as it allows the rapid collection of detailed reaction profiles.


What advantages does Mid-Infrared ATR-FTIR Spectroscopy bring to reaction analysis?

Mid-Infrared ATR-FTIR Spectroscopy brings a couple of advantages to reaction analysis.  First, the use of the fingerprint region of the mid-infrared enables the individual tracking of chemical species, which in turn provides clues to the mechanism of the reaction.  Second, Beer's Law gives the connection between the measured absorbance of the reaction species and its concentration.  This relationship means we can use an offline measurement to determine the concentration of an offline sample, and then use that data point to scale the mid-infrared profile.  There is a correlation between the concentration measurement of offline samples and the measured shape of the in situ samples.

Why use Mid-Infrared ATR-FTIR Spectroscopy instead of alternative techniques?

Mid-infrared attenuated total reflectance (ATR) technology offers numerous advantages over alternative analytical methods, including other molecular spectroscopy techniques.  Researchers and scientists improve chemical development by leveraging these advantages, including:

  • Immersible for direct insertion into reaction vessel for in situ, continuous, real-time measurements
  • No extractive sampling required, providing the ability to measure chemistry in its natural environment
  • Impervious to bubbles or solids, making it ideal for hydrogenations or any heterogeneous reactions
  • Suitable for aqueous chemistry
  • Non-destructive, preserving the integrity of the chemical reaction
  • Adheres to Beer-Lambert law, enabling both qualitative and quantitative measurements

Instantaneous information can be gained about a reaction from ReactIR FTIR spectroscopy because it is an in situ technique.  This is a key benefit to obtaining further insights into reaction behavior, particularly where transient species are involved.

Why is the data generated from Mid-Infrared ATR-FTIR Spectroscopy so important?

The reason why the data is so important is because of its continuous nature.  With ReactIR FTIR Spectroscopy, data collection is automated, typically generating concentration information every minute, even as fast as four times every second.  This means that rather than running a large number of reactions to understand rate dependencies, just a few experiments can provide the necessary information to determine the driving forces of a reaction supporting reaction mechanistic theory.  This means that research can progress at an accelerated rate.  In addition, the data is often more accurate than data analyzed by offline techniques as there is no possible alteration of the molecules by preparation for analysis, or by exposing it to an enviroment other than that within the reaction vessel.

What industries use ReactIR FTIR Spectroscopy?

ReactIR FTIR Spectroscopy is used in the pharmaceutical, chemical, and petrochemical industries as well as in academic research.

What is ReactIR FTIR Spectroscopy used for in the Pharmaceutical industry?

  • Organic Synthesis
  • Grignard
  • Hydrogenations
  • Crystallization
  • Asymmetric Catalysis
  • Halogenations
  • Enzymatic Catalysis
  • Cross Coupling Reactions
  • Organometallic Chemistry
  • Solution Phase and Heterogeneous Catalysis

What is ReactIR FTIR Spectroscopy used for in the Chemical industry?

  • Intermediates
  • Surfactants
  • Flavors and Fragrances
  • Coatings/Pigments
  • Agrochemicals
  • Initiators
  • Bulk Chemicals
  • Isocyanate Chemistry
  • EO/PO
  • Highly Oxidizing Reactions
  • Hydroformylation
  • Catalytic Processes
  • Phosgenations
  • Esterifications

What is ReactIR FTIR Spectroscopy used for in Academic Research?

  • Metal-Mediated Chemistry
  • Catalysis
  • C-H Activation
  • Mechanistic Studies
  • Reaction Kinetics
 
 
 
 
 
 
 
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