Catalytic Reaction Monitoring Service

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Alfa Chemistry Catalysts

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In-situ spectroscopy is an analysis method that effectively obtains reliable information about the mechanism of chemical reactions, the role of intermediates, and the structure-reactivity relationship in catalysis. In addition, monitoring and understanding the energy of the catalytic reaction is essential to ensure safe reactions and successful scale-up. Combining our expertise in catalysts, Alfa Chemistry Catalysts is ready to provide customers with the best catalytic reaction monitoring solutions.

Services

Alfa Chemistry Catalysts can use in-situ spectroscopy to study the value of catalytic reactions, and provide customers with the following research services.

• Study the homogeneous and heterogeneous catalytic reactions.
• Detect and identify intermediates produced by catalytic reactions.
• Quickly obtain data and understand the reaction mechanism and path.
• Track and monitor the products and by-products produced by the catalytic reaction.
• Monitor and understand the energy of the catalytic reaction.
• Quickly optimize the reaction conditions, optimize the yield of the final product, and reduce by-products to a large extent.
• Quickly determine the optimal catalyst and conditions for a specific reaction.

Abilities

• The characteristic functional groups in the range of 4000 -700 cm -1 can be detected by infrared spectroscopy.
• The characteristic functional groups in the low frequency range of 1000–200 cm –1 can be detected by Raman spectroscopy.
• Ultraviolet/visible spectroscopy can be used to study complex molecular changes affected by different interactions between ligands and solvent molecules. In addition, the UV/Vis spectroscopy measurement in reflectance mode allows direct monitoring of the formation and dissolution of precipitates.

Research Cases

• Researchers have developed asymmetric organic catalytic hydrogenation of benzoxazine, quinoline, quinoxaline and 3H-indole in a continuous flow microreactor. Through reaction monitoring, reaction parameters can be optimized quickly and conveniently. Studies have shown that in continuous flow, substrate consumption and product formation can be easily determined. In addition, through spectral analysis, the optimal temperature for asymmetric continuous flow reduction can also be found.

Figure 1. In situ ReactIR monitoring: (A) Reaction spectra showing the consumption of the substrate and the formation of product at different temperatures. (B) Three-dimensional time-resolved spectral data. [1]

• Researchers evaluated the applicability of fiber-based Raman probes for online reaction monitoring of high-pressure catalytic hydrogenation reactions in batch autoclaves. When analyzing three different hydrogenation reactions on Cu-ZnO catalysts, the sensitivity of Raman spectroscopy was directly compared with attenuated total reflection Fourier transform infrared (ATR-FT-IR) spectroscopy. The results show that when studying the hydrogenation reaction of molecules such as diethyl maleate, the Raman spectrum contains the strong Raman intensity of the C=C bond, and the Raman spectrum provides more information than the ATR-FT-IR spectrum.

Figure 2. (A) Raman waterfall plot of the hydrogenation of diethyl maleate in time, recorded in the 1780-1680 cm-1 region. (B) Resulting Raman spectra as a 2D plot in time of the 1780-1680 cm-1 region. [2]

References

1. Magnus Rueping. (2012). "Continuous-flow catalytic asymmetric hydrogenations: Reaction optimization using FTIR inline analysis." Beilstein J. Org. Chem. 8, 300-307.
2. Gerben M Hamminga. (2007). "Applicability of fiber-optic-based Raman probes for on-line reaction monitoring of high-pressure catalytic hydrogenation reactions." Applied Spectroscopy.61(5), 470-478.