FTIR TALK LETTER (vol. 38)

Importance of the Topic

FTIR spectroscopy is a cornerstone technique for molecular characterization, catalyst development, and quality control in research and industry. It reveals functional groups, surface chemistry, and structural changes, supporting applications from solid base catalysts to polymer analysis and software‐driven data processing.

Objectives and Overview

• Develop and characterize a boron nitride solid base catalyst using FTIR methods.
• Outline procedures for exporting and processing FTIR data across software platforms.
• Identify and mitigate sources of peak distortion to obtain high-quality spectra.
• Present advanced ATR correction techniques and introduce the IRXross FTIR spectrophotometer.

Methodology and Instrumentation

• Boron nitride catalyst synthesis by planetary ball milling and pyrolysis of boric acid with urea or hexamethylenetetramine.
• FTIR spectroscopy for structural evaluation, probe‐molecule adsorption studies (CDCl3, CHCl3), and differential spectra to quantify basic sites.
• Data export from LabSolutions IR in JCAMP-DX, ASCII (TXT), Spectacle16, and UVProbe formats for cross-platform processing (MATLAB, Python, Excel).
• Sampling techniques: transmission (KBr pellet, diamond cell), diffuse reflectance, specular reflection, and ATR with various prisms and incidence angles.
• Advanced ATR correction algorithm to convert ATR spectra into transmission-equivalent spectra, correcting peak positions, intensities, and polarization effects.
• Introduction of IRXross high-sensitivity FTIR spectrophotometer featuring built-in analytical intelligence and full regulatory compliance.

Main Results and Discussion

• Ball milling induced delamination and surface functionalization of hexagonal boron nitride (–OH, –NH groups), raising surface area to ~400 m²/g and optimizing nitroaldol reaction activity at 400 rpm.
• Pyrolysis of boric acid and urea produced porous boron nitride with surface areas up to 647 m²/g, exhibiting superior base‐catalyzed activity in nitroaldol and Michael addition reactions; CDCl₃/CHCl₃ FTIR probes showed basic strength comparable to γ-Al₂O₃ and zeolites.
• FTIR data export enables seamless workflows: JCAMP-DX for broad equipment compatibility, Spectacle16 for equal-spacing re-import, ASCII TXT for direct Excel use, and UVProbe format for CSV conversion.
• Peak distortion arises from anomalous dispersion of refractive index in transmission, ATR, DRS, and specular reflection methods; mitigation strategies include sample dilution, high-index prisms (Ge), larger incidence angles, and particle size control.
• Advanced ATR correction applied in LabSolutions IR effectively aligns ATR spectra with transmission references, enhancing library matching and quantitative accuracy.

Benefits and Practical Applications

• Facilitates design of high-surface-area solid base catalysts based on boron nitride for dehydrogenation and condensation reactions.
• Supports robust cross-software FTIR data analysis pipelines for high-volume and customized processing in analytical laboratories.
• Provides best practices to minimize spectral artifacts across sampling modes, improving material identification and concentration measurements.
• Delivers an ATR correction framework that ensures consistency between ATR and transmission datasets for reliable library searches.
• Showcases IRXross as an integrated FTIR solution with enhanced sensitivity, smart analytics, and compliance for advanced industrial and research applications.

Future Trends and Potential Uses

• Integration of FTIR data analytics with machine learning and AI for automated spectral interpretation and process monitoring.
• Expansion of ATR correction capabilities to emerging materials, ultrathin films, and in situ reaction studies.
• Development of standardized, open protocols for FTIR data interchange and cloud-based processing.
• Advancement of high-throughput FTIR platforms like IRXross with modular sampling accessories and real-time reaction tracking.

Conclusion

FTIR spectroscopy remains an essential, versatile tool across catalysis, materials science, and quality assurance. By combining innovative boron nitride catalyst synthesis, cross-platform data strategies, rigorous spectral acquisition protocols, and advanced ATR correction, researchers and practitioners can achieve reproducible, high-quality insights. The IRXross system further elevates FTIR capabilities with integrated intelligence and compliance support.

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